methyl 5-cyclopropyl-1,2-oxazole-3-carboxylate

• ChemBase ID: 124562
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: c1(noc(c1)C1CC1)C(=O)OC
• Canonical SMILES: COC(=O)c1noc(c1)C1CC1
• InChI: InChI=1S/C8H9NO3/c1-11-8(10)6-4-7(12-9-6)5-2-3-5/h4-5H,2-3H2,1H3
• InChIKey: GLVAWJNBOCMLMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-cyclopropyl-1,2-oxazole-3-carboxylate
• IUPAC Traditional name: methyl 5-cyclopropyl-1,2-oxazole-3-carboxylate
• Synonyms: methyl 5-cyclopropylisoxazole-3-carboxylate

Database IDs

• PubChem SID: 162218915
• PubChem CID: 7141936

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1504492
• LogD (pH = 7.4): 1.1504492
• Log P: 1.1504492
• Molar Refractivity: 41.4964 cm^3
• Polarizability: 15.561421 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true