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

• ChemBase ID: 811032
• Molecular Formular: C6H7NO3
• Molecular Mass: 141.12468
• Monoisotopic Mass: 141.04259309
• SMILES: o1c(ncc1C(=O)OC)C
• Canonical SMILES: COC(=O)c1cnc(o1)C
• InChI: InChI=1S/C6H7NO3/c1-4-7-3-5(10-4)6(8)9-2/h3H,1-2H3
• InChIKey: HCQUYIDTEHMXQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-methyl-1,3-oxazole-5-carboxylate
• IUPAC Traditional name: methyl 2-methyl-1,3-oxazole-5-carboxylate
• Synonyms: 2-METHYL-OXAZOLE-5-CARBOXYLIC ACID METHYL ESTER

Database IDs

• CAS Number: 651059-70-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.038320288
• LogD (pH = 7.4): -0.038319986
• Log P: -0.038319983
• Molar Refractivity: 33.1109 cm^3
• Polarizability: 12.627174 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%