5-ethoxy-N,2-dimethyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 804428
• Molecular Formular: C8H12N2O3
• Molecular Mass: 184.19248
• Monoisotopic Mass: 184.08479225
• SMILES: o1c(nc(c1OCC)C(=O)NC)C
• Canonical SMILES: CCOc1oc(nc1C(=O)NC)C
• InChI: InChI=1S/C8H12N2O3/c1-4-12-8-6(7(11)9-3)10-5(2)13-8/h4H2,1-3H3,(H,9,11)
• InChIKey: YJUCIGJCORTLCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethoxy-N,2-dimethyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-ethoxy-N,2-dimethyl-1,3-oxazole-4-carboxamide
• Synonyms: 5-ETHOXY-N,2-DIMETHYLOXAZOLE-4-CARBOXAMIDE

Database IDs

• CAS Number: 128242-88-6

CALCULATED PROPERTIES

• Acid pKa: 11.74453
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2132039
• LogD (pH = 7.4): -0.21322109
• Log P: -0.21320368
• Molar Refractivity: 45.2763 cm^3
• Polarizability: 17.23918 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%