5-ethoxy-2-methyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 804290
• Molecular Formular: C7H10N2O3
• Molecular Mass: 170.1659
• Monoisotopic Mass: 170.06914219
• SMILES: o1c(nc(c1OCC)C(=O)N)C
• Canonical SMILES: CCOc1oc(nc1C(=O)N)C
• InChI: InChI=1S/C7H10N2O3/c1-3-11-7-5(6(8)10)9-4(2)12-7/h3H2,1-2H3,(H2,8,10)
• InChIKey: XAYKKFGYKRVXPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethoxy-2-methyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-ethoxy-2-methyl-1,3-oxazole-4-carboxamide
• Synonyms: 5-ETHOXY-2-METHYLOXAZOLE-4-CARBOXAMIDE

Database IDs

• CAS Number: 3356-83-0

CALCULATED PROPERTIES

• Acid pKa: 11.369137
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.43687922
• LogD (pH = 7.4): -0.43683815
• Log P: -0.43687975
• Molar Refractivity: 40.3796 cm^3
• Polarizability: 15.424746 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%