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

• ChemBase ID: 815364
• Molecular Formular: C8H11NO3
• Molecular Mass: 169.17784
• Monoisotopic Mass: 169.07389322
• SMILES: o1c(nc(c1)C(=O)OCC)CC
• Canonical SMILES: CCOC(=O)c1coc(n1)CC
• InChI: InChI=1S/C8H11NO3/c1-3-7-9-6(5-12-7)8(10)11-4-2/h5H,3-4H2,1-2H3
• InChIKey: IFKZUPQJVLTAPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-ethyl-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: ethyl 2-ethyl-1,3-oxazole-4-carboxylate
• Synonyms: ethyl 2-ethyloxazole-4-carboxylate

Database IDs

• CAS Number: 145936-64-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4848729
• LogD (pH = 7.4): 1.484873
• Log P: 1.284873
• Molar Refractivity: 42.2369 cm^3
• Polarizability: 16.261086 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%