{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.oxadiazole","code":"thing-q1227206","url":"https://ver.cy/models/thing/q1227206/","name":"oxadiazole","alternateNames":["sydnones","1,3,4-Oxadiazole","1,2,4-Oxadiazole","1,2,3-Oxadiazole"],"kind":"thing","status":"published","version":"0.1.0-research.1","language":"en","classifiers":{"family":"Thing Registry","category":"Physical world and living systems","entryKind":"thing","plane":"PHY","domain":["PHY.MAT"],"industry":[],"navPath":"","tags":[],"facets":{}},"whatItIs":"Oxadiazoles are a class of organic compounds containing a five-membered heterocyclic ring with one oxygen atom, two nitrogen atoms and two carbon atoms, encompassing four positional ring isomers and their substituted derivatives; the unsubstituted parent compounds have molecular formula C2H2N2O.","purpose":"Enable an agent to identify an oxadiazole precisely, assess evidence about its material state and determine which handling or use decisions that evidence supports.","scope":{"in":["Ring connectivity and positional-isomer identification","Distinction between an unsubstituted parent, a substituted derivative and an embedded ring fragment","Structure-specific chemical identifiers and supporting analytical evidence","Sample composition, purity, physical state and conditional property measurements","Isomer-specific stability, compatibility and documented handling constraints","Evidence boundaries for proposed chemical or functional uses"],"out":["Complete models of pharmaceuticals or other products containing an oxadiazole ring","Manufacturing equipment and detailed synthesis procedures","Clinical efficacy and treatment decisions for individual derivatives","Complete models of polymers, coordination complexes or formulations containing the ring","Independent substance models for neighbouring heterocycles and ring-transformation products"],"boundaries":[]},"distinguishingFeatures":["Check for a five-membered ring containing two carbon atoms, two nitrogen atoms and one oxygen atom; the generic name does not settle their connectivity. [PubChem oxadiazole record](https://pubchem.ncbi.nlm.nih.gov/compound/Oxadiazole).","Require explicit heteroatom locants: records for 1,3,4-oxadiazole and 1,2,4-oxadiazole describe different structures despite sharing the parent molecular formula. [PubChem 1,3,4-oxadiazole](https://pubchem.ncbi.nlm.nih.gov/compound/1_3_4-Oxadiazole), [PubChem 1,2,4-oxadiazole](https://pubchem.ncbi.nlm.nih.gov/compound/1_2_4-Oxadiazole).","Distinguish an unsubstituted parent from a substituted derivative using the complete molecular graph; parent formula C2H2N2O alone cannot establish identity. [PubChem parent](https://pubchem.ncbi.nlm.nih.gov/compound/1_3_4-Oxadiazole), [PubChem 2-phenyl derivative](https://pubchem.ncbi.nlm.nih.gov/compound/13217).","Check ring size, heteroatom counts, bond pattern and additional oxygen atoms before accepting a similarly named heterocycle as an oxadiazole parent."],"structure":{"bundles":[{"id":"ring-identity-and-boundaries","name":"Ring identity and boundaries","description":"Resolve what the unqualified name oxadiazole denotes in each record.","layers":[{"id":"heteroatom-connectivity","name":"Heteroatom connectivity","description":"Establish the atom sequence and bonding of the proposed oxadiazole ring.","findings":[{"id":"resolved-ring-isomer","name":"Resolved ring isomer","description":"Require a numbered ring structure before assigning isomer-specific claims.","questions":[{"text":"What numbered molecular graph establishes the oxygen and nitrogen positions in this oxadiazole?","id":"resolved-ring-isomer-q01","kind":"definition"},{"text":"Does the originating registry record denote the ring family or one particular parent isomer?","id":"resolved-ring-isomer-q02","kind":"boundary"}]}]},{"id":"parent-and-derivative-membership","name":"Parent and derivative membership","description":"Locate the identified entity relative to the unsubstituted parent and neighbouring ring systems.","findings":[{"id":"structural-extension-boundary","name":"Structural extension boundary","description":"Record substitution, fusion, oxidation or reduction without silently treating the resulting compound as the parent.","questions":[{"text":"Which substituents, fused rings or changes in oxidation and saturation distinguish this entity from its oxadiazole parent?","id":"structural-extension-boundary-q01","kind":"definition"},{"text":"Which properties belong to the complete derivative rather than the oxadiazole ring it contains?","id":"structural-extension-boundary-q02","kind":"boundary"}]}]}]},{"id":"identity-evidence-and-sample-composition","name":"Identity evidence and sample composition","description":"Connect the proposed structure to chemical records and an actual material sample.","layers":[{"id":"structure-record-reconciliation","name":"Structure record reconciliation","description":"Check that identifiers and analytical assignments refer to the same oxadiazole structure.","findings":[{"id":"supported-structure-assignment","name":"Supported structure assignment","description":"Reconcile registry identifiers with evidence capable of distinguishing positional isomers.","questions":[{"text":"Which CAS, PubChem and other identifier records explicitly match the proposed ring connectivity and substitution?","id":"supported-structure-assignment-q01","kind":"provenance"},{"text":"Which NMR, diffraction or other structural evidence distinguishes this assignment from alternative oxadiazole isomers?","id":"supported-structure-assignment-q02","kind":"measurement"}]}]},{"id":"sample-assay","name":"Sample assay","description":"Describe the fraction and condition of the identified oxadiazole in a sample.","findings":[{"id":"isomer-purity-and-contaminants","name":"Isomer purity and contaminants","description":"Separate the intended compound from other isomers, residual reagents, solvents and degradation products.","questions":[{"text":"What assay quantifies the intended oxadiazole, and can its method resolve plausible isomeric impurities?","id":"isomer-purity-and-contaminants-q01","kind":"measurement"},{"text":"Which residual solvents, water, precursors or ring-transformation products are detected, and at what limits?","id":"isomer-purity-and-contaminants-q02","kind":"measurement"}]}]}]},{"id":"physical-state-and-ring-persistence","name":"Physical state and ring persistence","description":"Describe measurable material properties and whether the assigned ring persists under stated conditions.","layers":[{"id":"conditional-material-properties","name":"Conditional material properties","description":"Attach state, phase transitions and solubility to an identified composition and environment.","findings":[{"id":"usable-physical-measurements","name":"Usable physical measurements","description":"Accept property values only with sufficient identity, conditions and method information.","questions":[{"text":"What phase and melting or boiling measurements are supported for this exact oxadiazole, and was decomposition distinguished from transition?","id":"usable-physical-measurements-q01","kind":"measurement"},{"text":"What measured solubility applies in the intended solvent at the relevant temperature and pH?","id":"usable-physical-measurements-q02","kind":"measurement"}]}]},{"id":"ring-transformation-and-stability","name":"Ring transformation and stability","description":"Track persistence, ring opening and other transformations without assuming a shared stability across isomers.","findings":[{"id":"supported-persistence-window","name":"Supported persistence window","description":"Establish the conditions and duration over which the claimed oxadiazole identity remains valid.","questions":[{"text":"Under what temperature, light, moisture and acid-base conditions has persistence of this specific ring structure been measured?","id":"supported-persistence-window-q01","kind":"measurement"},{"text":"What evidence distinguishes an isolable oxadiazole from a transient species or a ring-opened product in this record?","id":"supported-persistence-window-q02","kind":"boundary"},{"text":"Which proposed storage or processing conditions fall outside the demonstrated persistence window?","id":"supported-persistence-window-q03","kind":"action"}]}]}]},{"id":"handling-and-use-evidence","name":"Handling and use evidence","description":"Determine which handling decisions and functional claims are supported for the identified oxadiazole.","layers":[{"id":"substance-specific-handling","name":"Substance-specific handling","description":"Link safety and regulatory evidence to the exact compound and sample form.","findings":[{"id":"applicable-handling-constraints","name":"Applicable handling constraints","description":"Record documented constraints without extrapolating from unrelated oxadiazole derivatives.","questions":[{"text":"Which current SDS and jurisdictional classifications match the verified structure, concentration and physical form?","id":"applicable-handling-constraints-q01","kind":"provenance"},{"text":"What evidence establishes applicable exposure limits, incompatibilities and thermal or mechanical sensitivity, and what remains untested?","id":"applicable-handling-constraints-q02","kind":"measurement"},{"text":"Which storage, transfer and disposal actions are supported by those exact-substance records?","id":"applicable-handling-constraints-q03","kind":"action"}]}]},{"id":"role-and-claim-transfer","name":"Role and claim transfer","description":"Separate a proposed oxadiazole scaffold role from demonstrated performance of a complete compound.","findings":[{"id":"evidence-bounded-use","name":"Evidence-bounded use","description":"Require compound-specific evidence for chemical, biological or material uses.","questions":[{"text":"Is the proposed role a synthetic intermediate, ligand, biological scaffold or material component, and which exact oxadiazole structure was tested?","id":"evidence-bounded-use-q01","kind":"definition"},{"text":"Which experiment supports that role, including conditions, controls and the measured outcome?","id":"evidence-bounded-use-q02","kind":"provenance"},{"text":"What additional evidence is needed before transferring the reported result to a different isomer, substituent pattern or formulation?","id":"evidence-bounded-use-q03","kind":"action"}]}]}]},{"id":"evidence-and-external-alignment","name":"Evidence and external alignment","description":"What the world already says about this thing, gathered so the model can be checked against it.","layers":[{"id":"reported-evidence","name":"Reported evidence","description":"Findings from the breadth pass, kept separate from the structural claims.","findings":[{"id":"evidence-confidence-notes","name":"Check these first","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these check these first hold for the sense of oxadiazole this model covers, and on what evidence?","id":"evidence-confidence-notes-q01","kind":"provenance"}]},{"id":"evidence-kinds","name":"Kinds and varieties","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these kinds and varieties hold for the sense of oxadiazole this model covers, and on what evidence?","id":"evidence-kinds-q01","kind":"provenance"}]},{"id":"evidence-identifiers","name":"Identifiers and schemes","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these identifiers and schemes hold for the sense of oxadiazole this model covers, and on what evidence?","id":"evidence-identifiers-q01","kind":"provenance"}]},{"id":"evidence-real-world-use","name":"Real-world use","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these real-world use hold for the sense of oxadiazole this model covers, and on what evidence?","id":"evidence-real-world-use-q01","kind":"provenance"}]},{"id":"evidence-measurements","name":"Typical measurements","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these typical measurements hold for the sense of oxadiazole this model covers, and on what evidence?","id":"evidence-measurements-q01","kind":"provenance"}]},{"id":"evidence-failure-modes-and-hazards","name":"Failure modes and hazards","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these failure modes and hazards hold for the sense of oxadiazole this model covers, and on what evidence?","id":"evidence-failure-modes-and-hazards-q01","kind":"provenance"}]},{"id":"evidence-neighbours","name":"Neighbouring kinds and how to tell them apart","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these neighbouring kinds and how to tell them apart hold for the sense of oxadiazole this model covers, and on what evidence?","id":"evidence-neighbours-q01","kind":"provenance"}]}]}]}]},"agentConduct":{"may":["Describe the isomers of oxadiazole and their role in chemistry from scientific sources.","Track oxadiazole compounds and their safety data in a laboratory inventory it manages."],"mustNot":["Help prepare or use oxadiazole derivatives as weapons, explosives or poisons.","Mislabel isomers or derivatives in a way that hides their hazards.","Advise people to take oxadiazole-containing compounds outside approved medicines."],"requiresHuman":["Ordering or synthesizing new derivatives with unknown hazards."]},"ethics":{"considerations":["Many medicines contain these rings; honest data on them protects patients.","Some derivatives are energetic or toxic and need careful stewardship."],"affectedParties":["Laboratory workers","Patients","Communities near chemical sites"]},"owners":{"steward":"Nobody owns the structure; the holder of a sample answers for it.","roles":[],"masterSystems":[]},"relations":[{"target":"Q107344349","type":"parent","note":"registry parent class"},{"target":"Q72084374","type":"parent","note":"registry parent class"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.oxadiazole","Wikidata: Q1227206 (https://www.wikidata.org/wiki/Q1227206)"]},"properties":{"applicability":"required","items":["Identity resolution: family only | isomer specified | complete structure verified | conflicting evidence","Ring positional isomer: 1,2,3 | 1,2,4 | 1,2,5 | 1,3,4 | unresolved","Parent and derivative relationship: unsubstituted parent | substituted derivative with locants | embedded ring | related transformed ring","Verified chemical identifiers: structure-linked CAS number, PubChem CID, EC number, InChI and SMILES where verified","Assay and impurity profile: mass % or mol % with method; individual impurity concentrations in stated units","Physical state: solid | liquid | gas | dissolved; temperature in K and pressure in kPa","Phase-transition measurements: melting or boiling temperature in K with pressure, method and decomposition flag","Solubility: mol/L or g/L with solvent, temperature, pH where relevant and method","Chemical persistence: fraction remaining or half-life in stated time units under specified conditions","Applicable hazard evidence: exact-substance SDS, jurisdiction-specific classification and exposure-limit records, each dated"]},"recognition":{"applicability":"required","items":["Not identifiable by eye; samples are identified by labelling and laboratory analysis."]},"capabilities":{"applicability":"required","items":["Resolve an ambiguous oxadiazole label to a supported ring isomer or retain it at family level.","Match a sample to a complete structure using complementary analytical evidence.","Compare physical properties only when isomer, substitution, composition and measurement conditions are compatible.","Assess whether storage or proposed reaction conditions preserve the identified ring.","Retrieve handling constraints for the exact substance and sample composition.","Evaluate a proposed scaffold or material role using evidence for the specified compound."]},"hazards":{"applicability":"required","items":["Some derivatives are toxic, irritant or energetic.","Wrong isomer assignments lead to errors in research and drug data."]},"interfaces":{"applicability":"required","items":["Nomenclature of Organic Chemistry, IUPAC Recommendations, International Union of Pure and Applied Chemistry."]},"context":{"applicability":"required","items":["Oxadiazole rings are encountered in organic synthesis, medicinal chemistry and materials research.","Researchers use these heterocycles as structural components whose positional arrangement and substituents affect molecular behavior.","The exact isomer and substitution pattern must be specified before assigning properties or selecting a use."]}},"sources":[{"title":"Wikidata item Q1227206: oxadiazole","url":"https://www.wikidata.org/wiki/Q1227206","note":"identity and sense of the item"},{"title":"Wikipedia: Oxadiazole","url":"https://en.wikipedia.org/wiki/Oxadiazole","note":"general description of the item"}],"openQuestions":["Does vr.tr.oxadiazole denote a chemical family or an intended parent isomer, and does an existing Vercy model already own that concept?","How should generic-name database records be reconciled when their descriptions suggest a family but their identifiers encode a particular structure?","What primary experimental evidence establishes the existence, isolation conditions and persistence of the 1,2,3 parent relative to ring-opened forms?","Which parent-isomer physical constants have reliable experimental support with explicit pressure, purity and decomposition information?","Which exact-substance hazard classifications, exposure limits and compatibility data are available, and where must handling decisions remain unresolved?"],"resources":{"spec":"/models/things/publications/thing-q1227206/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q1227206/spec.json"],"providers":["Codex"],"researchStatus":"unreviewed","generatedAt":"2026-09-12T11:49:54Z","builder":"tools/build_cards.py@1.0.0"},"completeness":{"sections":{"classifiers":"filled","whatItIs":"filled","purpose":"filled","distinguishingFeatures":"filled","structure":"filled","agentConduct":"filled","ethics":"filled","owners":"filled","relations":"filled","interaction.identity":"filled","interaction.properties":"filled","interaction.recognition":"filled","interaction.capabilities":"filled","interaction.hazards":"filled","interaction.interfaces":"filled","interaction.context":"filled","sources":"filled"},"notes":{"_gate":"Published through the thing publication gate 1.0 on 2026-10-08T18:54:35+00:00: completeness 1.00; sense: Wikidata description; 2 live sources; review by codex: pass"},"score":1.0}}