1.0 2010-04-08 22:12:47 UTC 2019-11-26 03:14:06 UTC FDB017026 4-Ethyl-2-methyl-5-propyloxazole Volatile constituent of French fried potato and cocoa butter. 4-Ethyl-2-methyl-5-propyloxazole is found in cocoa and cocoa products and potato. C9H15NO 153.2215 153.115364107 4-ethyl-2-methyl-5-propyl-1,3-oxazole 4-ethyl-2-methyl-5-propyl-1,3-oxazole 88300-06-5 CCCC1=C(CC)N=C(C)O1 InChI=1S/C9H15NO/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3 OJFZPFCEFJXLIK-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,4,5-trisubstituted oxazoles. 2,4,5-trisubstituted oxazoles are compounds containing an oxazole ring substituted at positions 2, 4 and 5 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole. 2,4,5-trisubstituted oxazoles Organic compounds Organoheterocyclic compounds Azoles Oxazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds 2,4,5-trisubstituted 1,3-oxazole Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle logp 3.25 ALOGPS logs -2.72 ALOGPS solubility 2.92e-01 g/l ALOGPS logp 2.04 ChemAxon pka_strongest_basic 1.78 ChemAxon iupac 4-ethyl-2-methyl-5-propyl-1,3-oxazole ChemAxon average_mass 153.2215 ChemAxon mono_mass 153.115364107 ChemAxon smiles CCCC1=C(CC)N=C(C)O1 ChemAxon formula C9H15NO ChemAxon inchi InChI=1S/C9H15NO/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H2,1-3H3 ChemAxon inchikey OJFZPFCEFJXLIK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.03 ChemAxon refractivity 44.7 ChemAxon polarizability 18.55 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18232 Specdb::CMs 132601 Specdb::CMs 140335 Specdb::MsIr 7728 Specdb::MsIr 7729 Specdb::MsMs 47274 Specdb::MsMs 47275 Specdb::MsMs 47276 Specdb::MsMs 165630 Specdb::MsMs 165631 Specdb::MsMs 165632 Specdb::MsMs 2433244 Specdb::MsMs 2433245 Specdb::MsMs 2433246 Specdb::MsMs 2502845 Specdb::MsMs 2502846 Specdb::MsMs 2502847 HMDB37873 #<Reference:0x000055ce300c3ba0> Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Potato Type 1 specific Solanum tuberosum 4113