1.0 2010-04-08 22:12:45 UTC 2019-11-26 03:14:00 UTC FDB016963 2-Pentyloxazole Constituent of roasted peanut volatiles. 2-Pentyloxazole is found in nuts. C8H13NO 139.1949 139.099714043 2-pentyl-1,3-oxazole 2-pentyl-1,3-oxazole 77311-05-8 CCCCCC1=NC=CO1 InChI=1S/C8H13NO/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3 TWTMHOPOBRKCKX-UHFFFAOYSA-N belongs to the class of organic compounds known as oxazoles. Oxazoles are compounds containing an oxazole ring, which is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole. Oxazoles Organic compounds Organoheterocyclic compounds Azoles Oxazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazole logp 3.00 ALOGPS logs -2.23 ALOGPS solubility 8.15e-01 g/l ALOGPS logp 2.07 ChemAxon pka_strongest_basic 1.28 ChemAxon iupac 2-pentyl-1,3-oxazole ChemAxon average_mass 139.1949 ChemAxon mono_mass 139.099714043 ChemAxon smiles CCCCCC1=NC=CO1 ChemAxon formula C8H13NO ChemAxon inchi InChI=1S/C8H13NO/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3 ChemAxon inchikey TWTMHOPOBRKCKX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.03 ChemAxon refractivity 39.64 ChemAxon polarizability 16.48 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21252 Specdb::CMs 174664 Specdb::MsIr 7677 Specdb::MsIr 7678 Specdb::MsMs 99273 Specdb::MsMs 99274 Specdb::MsMs 99275 Specdb::MsMs 164391 Specdb::MsMs 164392 Specdb::MsMs 164393 Specdb::MsMs 2815924 Specdb::MsMs 2815925 Specdb::MsMs 2815926 Specdb::MsMs 2892461 Specdb::MsMs 2892462 Specdb::MsMs 2892463 HMDB37818 #<Reference:0x000055ce31d68f58> Nuts Unknown generic