292154 <common-name>4-phenyl-3-(2-pyrrolidin-1-ylethyl)-2h-oxadiazol-3-ium-5-one</common-name> <description>4-phenyl-3-(2-pyrrolidin-1-ylethyl)-2h-oxadiazol-3-ium-5-one belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C14H18N3O2+ and an average molecular weight of 260.31 g/mol.</description> <cas nil="true"/> <pubchem-id>198891</pubchem-id> <chemical-formula>C14H18N3O2+</chemical-formula> <weight>260.31</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">2026-08-28T07:27:12Z</created-at> <updated-at type="dateTime">2026-08-28T07:27:12Z</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>C1CCN(C1)CC[N+]2=C(C(=O)ON2)C3=CC=CC=C3</moldb-smiles> <moldb-formula>C14H18N3O2+</moldb-formula> <moldb-inchi>InChI=1S/C14H17N3O2/c18-14-13(12-6-2-1-3-7-12)17(15-19-14)11-10-16-8-4-5-9-16/h1-3,6-7H,4-5,8-11H2/p+1</moldb-inchi> <moldb-inchikey>PGJZRUNEFVCLND-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">260.1399018</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM288047</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>4-phenyl-3-(2-pyrrolidin-1-ylethyl)-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 nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0243718</sync-id> <structure-inchikey>PGJZRUNEFVCLND-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>80000000000000000000000002000000000800000000000000000000002000000080000000000400000000000000000100000000000000000000001000000000000000000000002080000000000000000100800000000000000000000000000000000000000000008002010000000000000000000000080000000000000080010020100000400080000000010000000000000000000001000000000000002000000008000000000200000000000800a000000000000000000000000000000000000000000000000000000000000000000200000000010000000000000000000040008000000040000001000000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFQAAAIABBgBgAAAAAgIGAGAAAAAC AgYAYAAAAAICBwAgAAAAAwYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgdgKgAA AAEDBAZAKAAAAAMEBkAoAAAAAwQIACgAAAADAghAKAAAAAMCB0A4AAAAAwED BkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwELAAEAAQIAAgMAAwQAAwUABQYABgcABwhoDAgJaAwJCigCCQto DAsMaAwIDSANDmgMDg9oDA8QaAwQEWgMERJoDAQAAAwHaAwSDWgMQgMAAAAF AAECAwQFCQgHDAsGDg8QERINFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:04:23Z</structure-indexed-at> </compound>