1.02010-04-08 22:14:37 UTC2019-11-26 03:17:55 UTCFDB019845TrimethyloxazoleConstituent of roast peanuts, French fries and roast beef volatiles. Trimethyloxazole is found in many foods, some of which are potato, nuts, animal foods, and kohlrabi.2,4,5-Trimethyl-1,3-oxazole2,4,5-TrimethyloxazoleOxazole, 2,4,5-trimethylOxazole, trimethyl-Trimethyl-oxazoleC6H9NO111.1418111.068413915trimethyl-1,3-oxazoletrimethyl-1,3-oxazole20662-84-4CC1=NC(C)=C(C)O1InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3ZRLDBDZSLLGDOX-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,4,5-trisubstituted oxazoles. 2,4,5-trisubstituted oxazoles are compounds containing an oxazole ring substituted at positions 2, 4 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.2,4,5-trisubstituted oxazolesOrganic compoundsOrganoheterocyclic compoundsAzolesOxazolesAromatic heteromonocyclic compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganooxygen compoundsOrganopnictogen compoundsOxacyclic compounds2,4,5-trisubstituted 1,3-oxazoleAromatic heteromonocyclic compoundAzacycleHeteroaromatic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOxacyclelogp1.70logs-0.89solubility1.44e+01 g/llogp0.37pka_strongest_basic1.94iupactrimethyl-1,3-oxazoleaverage_mass111.1418mono_mass111.068413915smilesCC1=NC(C)=C(C)O1formulaC6H9NOinchiInChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3inchikeyZRLDBDZSLLGDOX-UHFFFAOYSA-Npolar_surface_area26.03refractivity30.95polarizability12.63rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1717Specdb::CMs12612Specdb::CMs28903Specdb::CMs102042Specdb::CMs136011Specdb::CMs143745Specdb::MsIr8691Specdb::MsIr8692Specdb::MsMs58443Specdb::MsMs58444Specdb::MsMs58445Specdb::MsMs114384Specdb::MsMs114385Specdb::MsMs114386Specdb::MsMs2359407Specdb::MsMs2359408Specdb::MsMs2359409Specdb::MsMs2605679Specdb::MsMs2605680Specdb::MsMs2605681Specdb::NmrOneD3857Specdb::NmrOneD4123Specdb::NmrOneD38602Specdb::NmrOneD38603Specdb::NmrOneD38604Specdb::NmrOneD38605Specdb::NmrOneD38606Specdb::NmrOneD38607Specdb::NmrOneD38608Specdb::NmrOneD38609Specdb::NmrOneD38610Specdb::NmrOneD38611Specdb::NmrOneD38612Specdb::NmrOneD38613Specdb::NmrOneD38614Specdb::NmrOneD38615Specdb::NmrOneD38616Specdb::NmrOneD38617Specdb::NmrOneD38618Specdb::NmrOneD38619Specdb::NmrOneD38620Specdb::NmrOneD38621HMDB40148#<Reference:0x0000555670b9b268>#<Reference:0x0000555670b98e78>#<Reference:0x0000555670b96b00>#<Reference:0x0000555670b8fc10>#<Reference:0x0000555670b8cb28>#<Reference:0x0000555670b873a8>KohlrabiType 1specificBrassica oleracea var. gongylodes1093790.0020.0020.002mg/100 gNutsUnknowngenericPotatoType 1specificSolanum tuberosum4113mustardnut skinnuttyroastedshellfishvegetablewasabi