{"ymdb_id":"YMDB01499","created_at":"2011-07-25T20:46:09.000Z","updated_at":"2016-09-08T18:36:45.000Z","name":"4-Ethyl-2,5-dimethyloxazole","cas":"30408-61-8","state":null,"melting_point":null,"description":"4-Ethyl-2,5-dimethyloxazole is a methyloxazole, which are aroma components of yeast extracts. In wine, trimethyloxazoles are described with an aggressive very ripe fruit odor. They are the product of the condensation of alpha-aminoketone, resulting from the degradation of an amino acid and acetaldehyde, which is an abundant compound in wine. [PMID: 11052750] [Ames 2006]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"121694","cs_id":"108582","foodb_id":"FDB017019","wikipedia_link":null,"biocyc_id":null,"iupac":"4-ethyl-2,5-dimethyl-1,3-oxazole","traditional_iupac":"4-ethyl-2,5-dimethyl-1,3-oxazole","logp":"1.0696692703333337","pka":null,"alogps_solubility":"5.73e+00 g/l","alogps_logp":"2.18","alogps_logs":"-1.34","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"26.03","refractivity":"35.5762","polarizability":"14.553023112574937","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"1.870838351531191","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2,5-Dimethyl-4-ethyloxazole","4-Ethyl-2,5-dimethyl-1,3-oxazole","4-ethyl-2,5-dimethyloxazole"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":null,"citation":"Yannai S. Dictionary of food compounds with CD-ROM: additives, flavors, and ingredients. Chapman \u0026 Hall/CRC; 2004."}],"proteins":[]}