methyl 2-(2-amino-1,3-oxazol-5-yl)acetate

• ChemBase ID: 802550
• Molecular Formular: C6H8N2O3
• Molecular Mass: 156.13932
• Monoisotopic Mass: 156.05349213
• SMILES: O(C(=O)Cc1oc(nc1)N)C
• Canonical SMILES: COC(=O)Cc1cnc(o1)N
• InChI: InChI=1S/C6H8N2O3/c1-10-5(9)2-4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)
• InChIKey: PMUOLWQFVLDLQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(2-amino-1,3-oxazol-5-yl)acetate
• IUPAC Traditional name: methyl 2-(2-amino-1,3-oxazol-5-yl)acetate
• Synonyms: METHYL (2-AMINO-1,3-OXAZOL-5-YL)ACETATE

CALCULATED PROPERTIES

• Acid pKa: 14.063038
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5262638
• LogD (pH = 7.4): -0.5259
• Log P: -0.5258953
• Molar Refractivity: 36.8953 cm^3
• Polarizability: 13.881801 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%