76748 <common-name>Benzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-</common-name> <description>Benzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]- belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the chemical formula C23H17N1O3 and an average molecular weight of 355.39 g/mol.</description> <cas>61257-43-0</cas> <pubchem-id>108541</pubchem-id> <chemical-formula>C23H17N1O3</chemical-formula> <weight>355.4</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">2026-04-04T07:18:53Z</created-at> <updated-at type="dateTime">2026-08-30T15:57:35Z</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>CC1=CC=C2OC(=NC2=C1)C1=CC=C(C=CC2=CC=C(C=C2)C(O)=O)C=C1</moldb-smiles> <moldb-formula>C23H17N1O3</moldb-formula> <moldb-inchi>InChI=1S/C23H17NO3/c1-15-2-13-21-20(14-15)24-22(27-21)18-9-5-16(6-10-18)3-4-17-7-11-19(12-8-17)23(25)26/h2-14H,1H3,(H,25,26)/b4-3+</moldb-inchi> <moldb-inchikey>FFTHGPXRVMFOIC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">355.393</moldb-average-mass> <moldb-mono-mass type="decimal">355.120843</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>97596</chemspider-id> <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>CHEM072641</chemdb-id> <dsstox-id>DTXSID5069461</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00034621</susdat-id> <iupac>4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoic 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>Phenylpropanoids and polyketides</superklass> <klass>Stilbenes</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0167900</sync-id> <structure-inchikey>FFTHGPXRVMFOIC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000200000000000100000000000000000001000000000000000000000000000000000082004000000000000000080000000000000000000000000000000800000000000000020800000000200000080000000000000000000110000001000000000120000800000000040000000000000000004000000010040000000004000000000200000800000000000000000000000000000000000000000000000000000084000000000000000000000000000000000000400000000000000000800000000000000000000044000002000000200000000000000a00100000001000040000000000400000000000000000000000000004000</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�� h� � ��(��� ��h���h���h���h���h��� �� ��(� �h���h� �h�� h���h���h�B������ ������������� �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:38Z</structure-indexed-at> </compound>