<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">321597</id>
  <title nil="true"/>
  <common-name>5-(4-ethoxy-3,5-dimethoxyphenyl)-3-[[3-(trifluoromethyl)anilino]methyl]-1,3,4-oxadiazol-2-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3056173</pubchem-id>
  <chemical-formula>C20H20F3N3O5</chemical-formula>
  <weight>439.4</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">2026-08-29T21:10:12Z</created-at>
  <updated-at type="dateTime">2026-08-29T21:10:12Z</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>CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CNC3=CC=CC(=C3)C(F)(F)F)OC</moldb-smiles>
  <moldb-formula>C20H20F3N3O5</moldb-formula>
  <moldb-inchi>InChI=1S/C20H20F3N3O5/c1-4-30-17-15(28-2)8-12(9-16(17)29-3)18-25-26(19(27)31-18)11-24-14-7-5-6-13(10-14)20(21,22)23/h5-10,24H,4,11H2,1-3H3</moldb-inchi>
  <moldb-inchikey>BBBJMLZKDSMIJJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">439.1355052</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>CHEM317490</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-(4-ethoxy-3,5-dimethoxyphenyl)-3-[[3-(trifluoromethyl)anilino]methyl]-1,3,4-oxadiazol-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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Trifluoromethylbenzenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0272315</sync-id>
  <structure-inchikey>BBBJMLZKDSMIJJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000200000000002000000010000000000040040000000008200002000040000000000200000000000000000000000000008000000000000100000000000000000000000002080000000010100002000000000000000000000420000004480000010000000000000010000000000000200000000000101004000000880000000000000008084000000000c0000000200000800000000000000000000000000080800000000c00000000c0000000000000000200080000000000000000800000000000100400000000000000000000200000000000000000000000000000040000800000000800000080020000000000040000000</structure-fingerprint>
  <structure-pattern-fingerprint>501440048d32864081001b608928a000100014008105200000bd20508220484c4402205117c000000100418810c00100046002b4408c32010024643900a04200c7190c0012d0060000903040127212020804858053211f3349040462402349140e68052f0048822060001400cdb40245348280708103e1045598086002730002124000084ef0820808060253482c2008391c081244021e82500008247840008400d310109090c20100000960017c75100ac000028941084018806a900ed00212a04040a684d2007201800480541102900c010110030050300d5002040c000300901040100889800211000003519220828050043088c6040e1108110052010402</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������!���€���`�������`�������(������@(������@(������@h�������@(������@h�������@(�������(�������`������@(������@(������@(������@(�������(������@(�������`�������h�������@(������@h�������@h�������@h�������@(������@h�������� ����	� ����	� ����	� ������(�������`�������������� ��h���h���h���h���h��	 	
��� ��h��h��h���(���h�������� ��h���h���h���h���h��������������� �����h���h���h�B���������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:26:22Z</structure-indexed-at>
</compound>
