1.0 2010-04-08 22:12:48 UTC 2019-11-26 03:14:08 UTC FDB017050 2-Butyl-5-methyl-4-propyloxazole Constituent of French fries. 2-Butyl-5-methyl-4-propyloxazole is found in potato. C11H19NO 181.2747 181.146664235 2-butyl-5-methyl-4-propyl-1,3-oxazole 2-butyl-5-methyl-4-propyl-1,3-oxazole 94794-09-9 CCCCC1=NC(CCC)=C(C)O1 InChI=1S/C11H19NO/c1-4-6-8-11-12-10(7-5-2)9(3)13-11/h4-8H2,1-3H3 JIJACJIEHHDTAK-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 4.22 ALOGPS logs -3.39 ALOGPS solubility 7.35e-02 g/l ALOGPS logp 3.1 ChemAxon pka_strongest_basic 1.73 ChemAxon iupac 2-butyl-5-methyl-4-propyl-1,3-oxazole ChemAxon average_mass 181.2747 ChemAxon mono_mass 181.146664235 ChemAxon smiles CCCCC1=NC(CCC)=C(C)O1 ChemAxon formula C11H19NO ChemAxon inchi InChI=1S/C11H19NO/c1-4-6-8-11-12-10(7-5-2)9(3)13-11/h4-8H2,1-3H3 ChemAxon inchikey JIJACJIEHHDTAK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.03 ChemAxon refractivity 54.01 ChemAxon polarizability 22.84 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7766 Specdb::MsIr 7767 Specdb::CMs 16788 Specdb::CMs 155305 Specdb::MsMs 85410 Specdb::MsMs 85411 Specdb::MsMs 85412 Specdb::MsMs 147504 Specdb::MsMs 147505 Specdb::MsMs 147506 Specdb::MsMs 2781772 Specdb::MsMs 2781773 Specdb::MsMs 2781774 Specdb::MsMs 2927182 Specdb::MsMs 2927183 Specdb::MsMs 2927184 HMDB37894 #<Reference:0x000055ce308767a8> Potato Type 1 specific Solanum tuberosum 4113