9359 <common-name>Isoxadifen-ethyl</common-name> <description nil="true"/> <cas>163520-33-0</cas> <pubchem-id>6451155</pubchem-id> <chemical-formula>C18H17NO3</chemical-formula> <weight>295.3</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">2016-05-19T02:41:55Z</created-at> <updated-at type="dateTime">2026-08-19T23:42:51Z</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>CCOC(=O)C1=NOC(C1)(C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C18H17NO3</moldb-formula> <moldb-inchi>InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3</moldb-inchi> <moldb-inchikey>MWKVXOJATACCCH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">295.338</moldb-average-mass> <moldb-mono-mass type="decimal">295.120843411</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4953634</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>CHEM008254</chemdb-id> <dsstox-id>DTXSID7040360</dsstox-id> <toxcast-id>40360</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000556</susdat-id> <iupac>ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate</iupac> <moldb-polar-surface-area>47.89</moldb-polar-surface-area> <moldb-refractivity>82.9377</moldb-refractivity> <moldb-polarizability>31.507783075781067</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-0.6704507518687638</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.89</moldb-alogps-logp> <moldb-alogps-logs>-5.18</moldb-alogps-logs> <moldb-alogps-solubility>1.94e-03 g/l</moldb-alogps-solubility> </compound>