1.02010-04-08 22:12:47 UTC2019-11-26 03:14:05 UTCFDB0170182-Ethyl-4,5-dimethyloxazoleFlavouring ingredient. Aroma constituent of French fried potatoes and Arabica coffee. 2-Ethyl-4,5-dimethyloxazole is found in coffee and coffee products and potato.2-Ethyl-4,5-dimethyl oxazole2-Ethyl-4,5-dimethyl-1,3-oxazole2-Ethyl-4,5-dimethyl-oxazole2-Ethyl-4,5-dimethyloxazole4,5-Dimethyl-2-ethyloxazoleFEMA 3672C7H11NO125.1683125.0840639792-ethyl-4,5-dimethyl-1,3-oxazole2-ethyl-4,5-dimethyl-1,3-oxazole53833-30-0CCC1=NC(C)=C(C)O1InChI=1S/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3LCYOFVYHDBWYSI-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 compoundOxacyclelogp2.18logs-1.33solubility5.89e+00 g/llogp1.07pka_strongest_basic1.83iupac2-ethyl-4,5-dimethyl-1,3-oxazoleaverage_mass125.1683mono_mass125.084063979smilesCCC1=NC(C)=C(C)O1formulaC7H11NOinchiInChI=1S/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3inchikeyLCYOFVYHDBWYSI-UHFFFAOYSA-Npolar_surface_area26.03refractivity35.58polarizability14.63rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs12846Specdb::CMs28899Specdb::CMs101906Specdb::CMs149657Specdb::MsIr7712Specdb::MsIr7713Specdb::EiMs1807Specdb::MsMs85980Specdb::MsMs85981Specdb::MsMs85982Specdb::MsMs148182Specdb::MsMs148183Specdb::MsMs148184Specdb::MsMs2404163Specdb::MsMs2404164Specdb::MsMs2404165Specdb::MsMs2534463Specdb::MsMs2534464Specdb::MsMs2534465Specdb::NmrOneD23522Specdb::NmrOneD23523Specdb::NmrOneD23524Specdb::NmrOneD23525Specdb::NmrOneD23526Specdb::NmrOneD23527Specdb::NmrOneD23528Specdb::NmrOneD23529Specdb::NmrOneD23530Specdb::NmrOneD23531Specdb::NmrOneD23532Specdb::NmrOneD23533Specdb::NmrOneD23534Specdb::NmrOneD23535Specdb::NmrOneD23536Specdb::NmrOneD23537Specdb::NmrOneD23538Specdb::NmrOneD23539Specdb::NmrOneD23540Specdb::NmrOneD23541HMDB37865#<Reference:0x00005556747ddf78>Arabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericPotatoType 1specificSolanum tuberosum4113Robusta coffeeType 1specificCoffea canephora49390creamyearthygreenvegetable