8429 <common-name>2-PROPYL-4,5-DIMETHYLOXAZOLE</common-name> <description>2-PROPYL-4,5-DIMETHYLOXAZOLE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C10H12O2 and an average molecular weight of 164.20 g/mol. In industrial applications, the compound serves as a nutrient and a flavouring agent. It has been identified as being released from antennas within electrical and electronic equipment. Regarding its biological activity, 2-PROPYL-4,5-DIMETHYLOXAZOLE acts as an inhibitor of the protein target NAD(P)H dehydrogenase [quinone] 1 (NQO1).</description> <cas>53833-32-2</cas> <pubchem-id>104620</pubchem-id> <chemical-formula>C10H12O2</chemical-formula> <weight>164.2</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">2016-05-19T02:24:11Z</created-at> <updated-at type="dateTime">2026-08-17T23:45:07Z</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>DB01927</drugbank-id> <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=C(C)C(=O)C(C)=C(C)C1=O</moldb-smiles> <moldb-formula>C10H12O2</moldb-formula> <moldb-inchi>InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3</moldb-inchi> <moldb-inchikey>WAMKWBHYPYBEJY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">164.2011</moldb-average-mass> <moldb-mono-mass type="decimal">164.083729628</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.61</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>94452</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>CHEM007324</chemdb-id> <dsstox-id>DTXSID8068886</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022330</susdat-id> <iupac>tetramethylcyclohexa-2,5-diene-1,4-dione</iupac> <moldb-polar-surface-area>34.14</moldb-polar-surface-area> <moldb-refractivity>48.4572</moldb-refractivity> <moldb-polarizability>17.930385678209582</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-7.425296374816284</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.92</moldb-alogps-logp> <moldb-alogps-logs>-1.99</moldb-alogps-logs> <moldb-alogps-solubility>1.69e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0183433</sync-id> <structure-inchikey>WAMKWBHYPYBEJY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000040000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000080000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000200000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMGACgAAAAD BAYAKAAAAAMEBgBgAAAAAQMGACgAAAADBAgAKAAAAAMCBgAoAAAAAwQGAGAA AAABAwYAKAAAAAMEBgBgAAAAAQMGACgAAAADBAgAKAAAAAMCCwABAAECKAIC AwACBCAEBSgCBAYgBgcABggoAggJAAgKIAoLKAIKASBCAQAAAAYBCggGBAIX BAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:03:19Z</structure-indexed-at> </compound>