331968 <common-name>6-[4-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxybutyl]-3-methyl-1,3-benzoxazol-2-one</common-name> <description>6-[4-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxybutyl]-3-methyl-1,3-benzoxazol-2-one is a chemical compound with the formula C22H26FN3O3. It has an average molecular weight of 399.50 g/mol.</description> <cas>124673-99-0</cas> <pubchem-id>3079220</pubchem-id> <chemical-formula>C22H26FN3O3</chemical-formula> <weight>399.5</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">2026-08-30T13:00:39Z</created-at> <updated-at type="dateTime">2026-08-30T13:00:39Z</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>CN1C2=C(C=C(C=C2)C(CCCN3CCN(CC3)C4=CC=C(C=C4)F)O)OC1=O</moldb-smiles> <moldb-formula>C22H26FN3O3</moldb-formula> <moldb-inchi>InChI=1S/C22H26FN3O3/c1-24-19-9-4-16(15-21(19)29-22(24)28)20(27)3-2-10-25-11-13-26(14-12-25)18-7-5-17(23)6-8-18/h4-9,15,20,27H,2-3,10-14H2,1H3</moldb-inchi> <moldb-inchikey>WTAYUNRBHUKMGX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">399.1958199</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM327861</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>6-[4-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxybutyl]-3-methyl-1,3-benzoxazol-2-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>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0282495</sync-id> <structure-inchikey>WTAYUNRBHUKMGX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000040000002080200000000000000000000000000000000010400000000000000000002000000000000000000000010000000000000000000000000000000000080008400000000000000000002480000001001000000000100000000000000001000000000000000090000000000042010000000000000008800000000000004000000000000000000000420000000000000800000000000000000000000000000000000000240008000004200000200000000000a000000800000000000000000000400800000000000000020000000000000000000200000000010000800040000004000040000000010000800000000000000000000004000000</structure-fingerprint> 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