98168 <common-name>Methyl 4-[2-[4-(2-benzoxazoleyl)phenyl]vinyl]benzoate</common-name> <description>Methyl 4-[2-[4-(2-benzoxazoleyl)phenyl]vinyl]benzoate belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. It has the chemical formula C23H17NO3 and an average molecular weight of 355.39 g/mol.</description> <cas nil="true"/> <pubchem-id>6438096</pubchem-id> <chemical-formula>C23H17NO3</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">2026-04-05T05:54:11Z</created-at> <updated-at type="dateTime">2026-08-30T15:57:37Z</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>COC(=O)C1=CC=C(C=CC2=CC=C(C=C2)C2=NC3=CC=CC=C3O2)C=C1</moldb-smiles> <moldb-formula>C23H17NO3</moldb-formula> <moldb-inchi>InChI=1/C23H17NO3/c1-26-23(25)19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)22-24-20-4-2-3-5-21(20)27-22/h2-15H,1H3</moldb-inchi> <moldb-inchikey>PQENDJMQROQKKU-VOTSOKGWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">355.393</moldb-average-mass> <moldb-mono-mass type="decimal">355.1208434</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</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>CHEM094061</chemdb-id> <dsstox-id>DTXSID3067819</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00060654</susdat-id> <iupac>methyl 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate</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>CED0128224</sync-id> <structure-inchikey>PQENDJMQROQKKU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000040100000000000000800000000000000000040000000000000000000082000000000000000000000000000000000000000000000000000800002000000000020800000000300000080000000000000000000110000001040000000020000802000000040000000000000000000000000010040000000804000000080000080800000000100000000000000000000000000000000000000000000084000000000000000000000000000000000000000000000000000000800000000000000000000004000100000000200000000000000800000000001000040000000000400000000000000000000000000004000</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">2026-09-19T04:38:01Z</structure-indexed-at> </compound>