1.0 2010-04-08 22:13:34 UTC 2015-07-21 06:26:13 UTC FDB018216 5-Pentyloxazole Not reported in mature C8H13NO 139.1949 139.099714043 5-pentyl-1,3-oxazole 5-pentyl-1,3-oxazole 84027-84-9 CCCCCC1=CN=CO1 InChI=1S/C8H13NO/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3 RZCKQDLMEGXPFA-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 2.74 ALOGPS logs -2.31 ALOGPS solubility 6.75e-01 g/l ALOGPS logp 1.97 ChemAxon pka_strongest_basic 1.29 ChemAxon iupac 5-pentyl-1,3-oxazole ChemAxon average_mass 139.1949 ChemAxon mono_mass 139.099714043 ChemAxon smiles CCCCCC1=CN=CO1 ChemAxon formula C8H13NO ChemAxon inchi InChI=1S/C8H13NO/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3 ChemAxon inchikey RZCKQDLMEGXPFA-UHFFFAOYSA-N ChemAxon polar_surface_area 26.03 ChemAxon refractivity 40.24 ChemAxon polarizability 16.3 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16941 Specdb::CMs 137339 Specdb::CMs 145073 Specdb::MsIr 8031 Specdb::MsIr 8032 Specdb::MsMs 52311 Specdb::MsMs 52312 Specdb::MsMs 52313 Specdb::MsMs 175947 Specdb::MsMs 175948 Specdb::MsMs 175949 Specdb::MsMs 2310039 Specdb::MsMs 2310040 Specdb::MsMs 2310041 Specdb::MsMs 2655554 Specdb::MsMs 2655555 Specdb::MsMs 2655556 HMDB38792 #<Reference:0x000055ce30538c08>