1.0 2010-04-08 22:12:48 UTC 2019-11-26 03:14:08 UTC FDB017055 5-Ethyl-2-hexyl-4-methyloxazole Volatile constituent of French fried potato. 5-Ethyl-2-hexyl-4-methyloxazole is found in potato. C12H21NO 195.3012 195.162314299 5-ethyl-2-hexyl-4-methyl-1,3-oxazole 5-ethyl-2-hexyl-4-methyl-1,3-oxazole 84028-19-3 CCCCCCC1=NC(C)=C(CC)O1 InChI=1S/C12H21NO/c1-4-6-7-8-9-12-13-10(3)11(5-2)14-12/h4-9H2,1-3H3 GMYPXSDTCUYNAF-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 4.76 ALOGPS logs -3.67 ALOGPS solubility 4.18e-02 g/l ALOGPS logp 3.37 ChemAxon pka_strongest_basic 1.73 ChemAxon iupac 5-ethyl-2-hexyl-4-methyl-1,3-oxazole ChemAxon average_mass 195.3012 ChemAxon mono_mass 195.162314299 ChemAxon smiles CCCCCCC1=NC(C)=C(CC)O1 ChemAxon formula C12H21NO ChemAxon inchi InChI=1S/C12H21NO/c1-4-6-7-8-9-12-13-10(3)11(5-2)14-12/h4-9H2,1-3H3 ChemAxon inchikey GMYPXSDTCUYNAF-UHFFFAOYSA-N ChemAxon polar_surface_area 26.03 ChemAxon refractivity 58.5 ChemAxon polarizability 25.07 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7776 Specdb::MsIr 7777 Specdb::CMs 21207 Specdb::CMs 159357 Specdb::MsMs 76635 Specdb::MsMs 76636 Specdb::MsMs 76637 Specdb::MsMs 136515 Specdb::MsMs 136516 Specdb::MsMs 136517 Specdb::MsMs 2828821 Specdb::MsMs 2828822 Specdb::MsMs 2828823 Specdb::MsMs 2853268 Specdb::MsMs 2853269 Specdb::MsMs 2853270 HMDB37899 #<Reference:0x000055ce32b951f8> Potato Type 1 specific Solanum tuberosum 4113