304939 <common-name>2-[2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]propanoic acid</common-name> <description>2-[2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]propanoic acid belongs to the oxazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C17H12F3NO3 and an average molecular weight of 335.28 g/mol.</description> <cas>51234-70-9</cas> <pubchem-id>39955</pubchem-id> <chemical-formula>C17H12F3NO3</chemical-formula> <weight>335.28</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">2026-08-28T22:28:50Z</created-at> <updated-at type="dateTime">2026-08-28T22:28:50Z</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>CC(C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O</moldb-smiles> <moldb-formula>C17H12F3NO3</moldb-formula> <moldb-inchi>InChI=1S/C17H12F3NO3/c1-9(16(22)23)10-5-6-14-13(8-10)21-15(24-14)11-3-2-4-12(7-11)17(18,19)20/h2-9H,1H3,(H,22,23)</moldb-inchi> <moldb-inchikey>IWQDAJHWXYWODB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">335.0769277</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM300832</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>2-[2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]propanoic acid</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>Azoles</klass> <subklass>Oxazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0256059</sync-id> <structure-inchikey>IWQDAJHWXYWODB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000002000000000100000000000000000000010000000001000000000000000000000082004000000000000000000000000000000000000000000000000000000000000000020800000000000000000008000000002000000114000000000000000100000080000400040000000000000000000000001010040000000804000000000000000800000000000000000000000480000000000000000000000000400080000000040000000040000000000000000200400000000000000000800000000000000000000000000000000000200000000000000a00000100805000040000000000400800000000000000000000044000000</structure-fingerprint> <structure-pattern-fingerprint>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</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">2026-09-19T05:13:50Z</structure-indexed-at> </compound>