1.0 2010-04-08 22:12:47 UTC 2019-11-26 03:14:03 UTC FDB017006 2-Methyl-4-propyloxazole Constituent of boiled shrimp (Panaeus brevistoris) aroma. 2-Methyl-4-propyloxazole is found in crustaceans. C7H11NO 125.1683 125.084063979 2-methyl-4-propyl-1,3-oxazole 2-methyl-4-propyl-1,3-oxazole 126484-99-9 CCCC1=COC(C)=N1 InChI=1S/C7H11NO/c1-3-4-7-5-9-6(2)8-7/h5H,3-4H2,1-2H3 RNLOKHYLXARFPN-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. 2,4-disubstituted oxazoles are compounds containing an oxazole ring substituted at positions 2 and 4 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-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 2,4-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 2.25 ALOGPS logs -1.36 ALOGPS solubility 5.43e+00 g/l ALOGPS logp 1.31 ChemAxon pka_strongest_basic 1.21 ChemAxon iupac 2-methyl-4-propyl-1,3-oxazole ChemAxon average_mass 125.1683 ChemAxon mono_mass 125.084063979 ChemAxon smiles CCCC1=COC(C)=N1 ChemAxon formula C7H11NO ChemAxon inchi InChI=1S/C7H11NO/c1-3-4-7-5-9-6(2)8-7/h5H,3-4H2,1-2H3 ChemAxon inchikey RNLOKHYLXARFPN-UHFFFAOYSA-N ChemAxon polar_surface_area 26.03 ChemAxon refractivity 35.03 ChemAxon polarizability 14.56 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7688 Specdb::MsIr 7689 Specdb::CMs 25004 Specdb::CMs 163518 Specdb::NmrOneD 23382 Specdb::NmrOneD 23383 Specdb::NmrOneD 23384 Specdb::NmrOneD 23385 Specdb::NmrOneD 23386 Specdb::NmrOneD 23387 Specdb::NmrOneD 23388 Specdb::NmrOneD 23389 Specdb::NmrOneD 23390 Specdb::NmrOneD 23391 Specdb::NmrOneD 23392 Specdb::NmrOneD 23393 Specdb::NmrOneD 23394 Specdb::NmrOneD 23395 Specdb::NmrOneD 23396 Specdb::NmrOneD 23397 Specdb::NmrOneD 23398 Specdb::NmrOneD 23399 Specdb::NmrOneD 23400 Specdb::NmrOneD 23401 Specdb::MsMs 56313 Specdb::MsMs 56314 Specdb::MsMs 56315 Specdb::MsMs 111696 Specdb::MsMs 111697 Specdb::MsMs 111698 Specdb::MsMs 2680104 Specdb::MsMs 2680105 Specdb::MsMs 2680106 Specdb::MsMs 3024954 Specdb::MsMs 3024955 Specdb::MsMs 3024956 HMDB37853 #<Reference:0x000055ce300d9018> Crustaceans Unknown generic 6657