<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">326140</id>
  <title nil="true"/>
  <common-name>5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-(4-fluorophenyl)-3h-1,3-oxazol-2-one</common-name>
  <description>5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-(4-fluorophenyl)-3h-1,3-oxazol-2-one is a chemical compound with the formula C21H20Cl2FN3O2. It has an average molecular weight of 436.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3078376</pubchem-id>
  <chemical-formula>C21H20Cl2FN3O2</chemical-formula>
  <weight>436.3</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">2026-08-30T04:12:44Z</created-at>
  <updated-at type="dateTime">2026-08-30T04:12:44Z</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>C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)F)C4=C(C=C(C=C4)Cl)Cl</moldb-smiles>
  <moldb-formula>C21H20Cl2FN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C21H20Cl2FN3O2/c22-15-3-6-18(17(23)13-15)27-11-9-26(10-12-27)8-7-19-20(25-21(28)29-19)14-1-4-16(24)5-2-14/h1-6,13H,7-12H2,(H,25,28)</moldb-inchi>
  <moldb-inchikey>PHJFBGVYGJCAGI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">435.0916604</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM322033</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>5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-(4-fluorophenyl)-3h-1,3-oxazol-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>CED0276764</sync-id>
  <structure-inchikey>PHJFBGVYGJCAGI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>208020000000000000001004000000000000a001040000000020000000002000100000000200000000010000000000000000000000000010000400000040000000000000000000002084000000001000000000000000000000000000008000000000000010000080000002010010000000000000000000000000000000000000000020000000400080000000000040000000100000000000010000000000000000000008000000220000000000000000a000000800000000000000000000000800000400000000020010000000000000004200000000010000000000000000000040000000001000800000000200000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�������������������� ���€���`�������`�������(�������`�������`������� ������`�������`������@(������@(������@8�������@(�������(������@(������@(������@h�������@h�������@(������@h�������@h������	� �����@(������@(������@h�������@(������@h�������@h�������� ������ ������������������������������	h�	
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	��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:29:52Z</structure-indexed-at>
</compound>
