1.0 2010-04-08 22:12:47 UTC 2019-11-26 03:14:04 UTC FDB017013 2-Methyl-5-propyloxazole Constituent of roasted peanut. 2-Methyl-5-propyloxazole is found in nuts. C7H11NO 125.1683 125.084063979 2-methyl-5-propyl-1,3-oxazole 2-methyl-5-propyl-1,3-oxazole 80935-99-5 CCCC1=CN=C(C)O1 InChI=1S/C7H11NO/c1-3-4-7-5-8-6(2)9-7/h5H,3-4H2,1-2H3 DDDRMAQEYHTVNK-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,5-disubstituted oxazoles. 2,5-disubstituted oxazoles are compounds containing an oxazole ring substituted at positions 2 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. 2,5-disubstituted oxazoles Organic compounds Organoheterocyclic compounds Azoles Oxazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds 2,5-disubstituted 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 2.21 ALOGPS logs -1.40 ALOGPS solubility 4.97e+00 g/l ALOGPS logp 1.2 ChemAxon pka_strongest_basic 2.01 ChemAxon iupac 2-methyl-5-propyl-1,3-oxazole ChemAxon average_mass 125.1683 ChemAxon mono_mass 125.084063979 ChemAxon smiles CCCC1=CN=C(C)O1 ChemAxon formula C7H11NO ChemAxon inchi InChI=1S/C7H11NO/c1-3-4-7-5-8-6(2)9-7/h5H,3-4H2,1-2H3 ChemAxon inchikey DDDRMAQEYHTVNK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.03 ChemAxon refractivity 35.48 ChemAxon polarizability 14.57 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7702 Specdb::MsIr 7703 Specdb::CMs 14384 Specdb::CMs 135230 Specdb::CMs 142964 Specdb::NmrOneD 23462 Specdb::NmrOneD 23463 Specdb::NmrOneD 23464 Specdb::NmrOneD 23465 Specdb::NmrOneD 23466 Specdb::NmrOneD 23467 Specdb::NmrOneD 23468 Specdb::NmrOneD 23469 Specdb::NmrOneD 23470 Specdb::NmrOneD 23471 Specdb::NmrOneD 23472 Specdb::NmrOneD 23473 Specdb::NmrOneD 23474 Specdb::NmrOneD 23475 Specdb::NmrOneD 23476 Specdb::NmrOneD 23477 Specdb::NmrOneD 23478 Specdb::NmrOneD 23479 Specdb::NmrOneD 23480 Specdb::NmrOneD 23481 Specdb::MsMs 76896 Specdb::MsMs 76897 Specdb::MsMs 76898 Specdb::MsMs 136851 Specdb::MsMs 136852 Specdb::MsMs 136853 Specdb::MsMs 2366002 Specdb::MsMs 2366003 Specdb::MsMs 2366004 Specdb::MsMs 2597071 Specdb::MsMs 2597072 Specdb::MsMs 2597073 HMDB37860 #<Reference:0x000055ce31e9a0e8> Nuts Unknown generic