ethyl 5-amino-2-ethyl-1,3-oxazole-4-carboxylate

• ChemBase ID: 243512
• Molecular Formular: C8H12N2O3
• Molecular Mass: 184.19248
• Monoisotopic Mass: 184.08479225
• SMILES: c1(c(oc(n1)CC)N)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1nc(oc1N)CC
• InChI: InChI=1S/C8H12N2O3/c1-3-5-10-6(7(9)13-5)8(11)12-4-2/h3-4,9H2,1-2H3
• InChIKey: SBLSFVDVLXXQSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-amino-2-ethyl-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: ethyl 5-amino-2-ethyl-1,3-oxazole-4-carboxylate
• Synonyms: ethyl 5-amino-2-ethyl-1,3-oxazole-4-carboxylate; ETHYL 5-AMINO-2-ETHYLOXAZOLE-4-CARBOXYLATE

Database IDs

• CAS Number: 86186-69-8
• MDL Number: MFCD09953576
• PubChem SID: 164299422
• PubChem CID: 15582693

CALCULATED PROPERTIES

• Acid pKa: 14.312139
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3952359
• LogD (pH = 7.4): 1.395238
• Log P: 1.1952381
• Molar Refractivity: 46.1906 cm^3
• Polarizability: 17.429907 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.344

Product Information

• Purity: 95%; 98%