279771 <common-name>3-(4-methoxyphenyl)-4-(trifluoromethyl)-2h-oxadiazol-3-ium-5-one</common-name> <description>3-(4-methoxyphenyl)-4-(trifluoromethyl)-2h-oxadiazol-3-ium-5-one belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C10H8F3N2O3+ and an average molecular weight of 261.18 g/mol.</description> <cas nil="true"/> <pubchem-id>71662799</pubchem-id> <chemical-formula>C10H8F3N2O3+</chemical-formula> <weight>261.18</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-26T19:42:17Z</created-at> <updated-at type="dateTime">2026-08-26T19:42:17Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>COC1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C(F)(F)F</moldb-smiles> <moldb-formula>C10H8F3N2O3+</moldb-formula> <moldb-inchi>InChI=1S/C10H7F3N2O3/c1-17-7-4-2-6(3-5-7)15-8(10(11,12)13)9(16)18-14-15/h2-5H,1H3/p+1</moldb-inchi> <moldb-inchikey>KFMLXTCNLMVPRF-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">261.0487016</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM275664</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3-(4-methoxyphenyl)-4-(trifluoromethyl)-2h-oxadiazol-3-ium-5-one</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Aniline and substituted anilines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0231822</sync-id> <structure-inchikey>KFMLXTCNLMVPRF-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>800000000000000000002000000000000000000000000000000000000001000000000020200000800000000000000000000000000001000000000000000080000010000000000020000000000020800000000100000200000000000000040000004004010040000000000000000080000000000000000000000000000000000041000000000000200000000000000000000000000000000000000000010000000000000000000000080000000000000008040008000000001000000080000000000000000000000000000000000000000000000000000200000000001000000000000000000040000000000000800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEHYCoAAAABAwQGQCgAAAADBAZAKAAAAAMECAAoAAAAAwIIQCgA AAADAgdAOAAAAAMBAwYAIAAAAAQJACAAAAABCQAgAAAAAQkAIAAAAAELAAEA AQIgAgNoDAMEaAwEBWgMBQZoDAYHaAwFCCAICWgMCQpoDAoLKAIKDGgMDA1o DAkOAA4PAA4QAA4RAAcCaAwNCGgMQgIAAAAGAgcGBQQDBQkIDQwKFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:55:01Z</structure-indexed-at> </compound>