1.0 2010-04-08 22:13:12 UTC 2019-11-26 03:14:58 UTC FDB017614 4-Butyloxazole Volatile constituent of ripe tomato. 4-Butyloxazole is found in garden tomato. C7H11NO 125.1683 125.084063979 4-butyl-1,3-oxazole 4-butyl-1,3-oxazole 79886-36-5 CCCCC1=COC=N1 InChI=1S/C7H11NO/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3 NREHHAUYDCWOQF-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 2.39 ALOGPS logs -1.46 ALOGPS solubility 4.30e+00 g/l ALOGPS logp 1.64 ChemAxon pka_strongest_basic 0.42 ChemAxon iupac 4-butyl-1,3-oxazole ChemAxon average_mass 125.1683 ChemAxon mono_mass 125.084063979 ChemAxon smiles CCCCC1=COC=N1 ChemAxon formula C7H11NO ChemAxon inchi InChI=1S/C7H11NO/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3 ChemAxon inchikey NREHHAUYDCWOQF-UHFFFAOYSA-N ChemAxon polar_surface_area 26.03 ChemAxon refractivity 35.19 ChemAxon polarizability 14.2 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21620 Specdb::CMs 135366 Specdb::CMs 143100 Specdb::MsIr 7878 Specdb::MsIr 7879 Specdb::MsMs 70398 Specdb::MsMs 70399 Specdb::MsMs 70400 Specdb::MsMs 128895 Specdb::MsMs 128896 Specdb::MsMs 128897 Specdb::MsMs 2459455 Specdb::MsMs 2459456 Specdb::MsMs 2459457 Specdb::MsMs 2475770 Specdb::MsMs 2475771 Specdb::MsMs 2475772 Specdb::NmrOneD 25402 Specdb::NmrOneD 25403 Specdb::NmrOneD 25404 Specdb::NmrOneD 25405 Specdb::NmrOneD 25406 Specdb::NmrOneD 25407 Specdb::NmrOneD 25408 Specdb::NmrOneD 25409 Specdb::NmrOneD 25410 Specdb::NmrOneD 25411 Specdb::NmrOneD 25412 Specdb::NmrOneD 25413 Specdb::NmrOneD 25414 Specdb::NmrOneD 25415 Specdb::NmrOneD 25416 Specdb::NmrOneD 25417 Specdb::NmrOneD 25418 Specdb::NmrOneD 25419 Specdb::NmrOneD 25420 Specdb::NmrOneD 25421 HMDB38288 #<Reference:0x000055ce31f2f378> Garden tomato Type 1 specific Solanum lycopersicum 4081