1.0 2010-04-08 22:12:48 UTC 2015-07-20 23:34:59 UTC FDB017035 5-Butyl-2,4-dimethyloxazole Not reported in nature C9H15NO 153.2215 153.115364107 5-butyl-2,4-dimethyl-1,3-oxazole 5-butyl-2,4-dimethyl-1,3-oxazole 88300-07-6 CCCCC1=C(C)N=C(C)O1 InChI=1S/C9H15NO/c1-4-5-6-9-7(2)10-8(3)11-9/h4-6H2,1-3H3 IXECKEKKCJBKQJ-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 3.23 ALOGPS logs -2.79 ALOGPS solubility 2.49e-01 g/l ALOGPS logp 1.78 ChemAxon pka_strongest_basic 1.85 ChemAxon iupac 5-butyl-2,4-dimethyl-1,3-oxazole ChemAxon average_mass 153.2215 ChemAxon mono_mass 153.115364107 ChemAxon smiles CCCCC1=C(C)N=C(C)O1 ChemAxon formula C9H15NO ChemAxon inchi InChI=1S/C9H15NO/c1-4-5-6-9-7(2)10-8(3)11-9/h4-6H2,1-3H3 ChemAxon inchikey IXECKEKKCJBKQJ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.03 ChemAxon refractivity 44.68 ChemAxon polarizability 18.67 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13318 Specdb::CMs 173198 Specdb::MsIr 7746 Specdb::MsIr 7747 Specdb::MsMs 51885 Specdb::MsMs 51886 Specdb::MsMs 51887 Specdb::MsMs 127539 Specdb::MsMs 127540 Specdb::MsMs 127541 Specdb::MsMs 2810837 Specdb::MsMs 2810838 Specdb::MsMs 2810839 Specdb::MsMs 2895535 Specdb::MsMs 2895536 Specdb::MsMs 2895537 HMDB37882 #<Reference:0x00007f093c119170>