302842 <common-name>4,4-dimethyl-2-[(e)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5h-1,3-oxazole</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>6445992</pubchem-id> <chemical-formula>C16H21NO4</chemical-formula> <weight>291.34</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">2026-08-28T19:55:37Z</created-at> <updated-at type="dateTime">2026-08-28T19:55:37Z</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>CC1(COC(=N1)C=CC2=CC(=C(C(=C2)OC)OC)OC)C</moldb-smiles> <moldb-formula>C16H21NO4</moldb-formula> <moldb-inchi>InChI=1S/C16H21NO4/c1-16(2)10-21-14(17-16)7-6-11-8-12(18-3)15(20-5)13(9-11)19-4/h6-9H,10H2,1-5H3/b7-6+</moldb-inchi> <moldb-inchikey>QJPDNRMPEKONFW-VOTSOKGWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">291.1470582</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM298735</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>4,4-dimethyl-2-[(e)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5h-1,3-oxazole</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>Phenol ethers</klass> <subklass>Anisoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0254051</sync-id> <structure-inchikey>QJPDNRMPEKONFW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000000000000000000000000400000002000000000000400000000002000000000000000400000000000000000000000000000000000800000000000000000800000000300000000000000000000000000000000001040000000100000000000020000000000000000000000000000000048000000000000000000000000000000000000000080000000000820000000000000000000000200080000000000000000000000080000000000000080004000000000010000000000000000000000000000000000000000000000000000000008000008002140000800000000000000000020000080000000004040</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�B����������� �� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:12:11Z</structure-indexed-at> </compound>