ethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate

• ChemBase ID: 289952
• Molecular Formular: C7H10N2O3
• Molecular Mass: 170.1659
• Monoisotopic Mass: 170.06914219
• SMILES: O=C(OCC)Nc1noc(C)c1
• Canonical SMILES: CCOC(=O)Nc1noc(c1)C
• InChI: InChI=1S/C7H10N2O3/c1-3-11-7(10)8-6-4-5(2)12-9-6/h4H,3H2,1-2H3,(H,8,9,10)
• InChIKey: MLZYZEAETPCEON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
• IUPAC Traditional name: ethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
• Synonyms: Ethyl (5-methylisoxazol-3-yl)carbamate

Database IDs

• CAS Number: 92087-97-3
• PubChem SID: 180675483
• PubChem CID: 4054636

CALCULATED PROPERTIES

• Acid pKa: 12.40315
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3456193
• LogD (pH = 7.4): 1.3456154
• Log P: 1.3456196
• Molar Refractivity: 44.1984 cm^3
• Polarizability: 15.616907 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%