N,4-dimethyl-1,3-oxazol-2-amine

• ChemBase ID: 814571
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: o1c(nc(c1)C)NC
• Canonical SMILES: CNc1occ(n1)C
• InChI: InChI=1S/C5H8N2O/c1-4-3-8-5(6-2)7-4/h3H,1-2H3,(H,6,7)
• InChIKey: FPXULDNVCXUSHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-1,3-oxazol-2-amine
• IUPAC Traditional name: N,4-dimethyl-1,3-oxazol-2-amine
• Synonyms: N,4-dimethyloxazol-2-amine

Database IDs

• CAS Number: 67067-39-7

CALCULATED PROPERTIES

• Acid pKa: 14.216338
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.20348245
• LogD (pH = 7.4): 0.20353477
• Log P: 0.2035355
• Molar Refractivity: 31.026 cm^3
• Polarizability: 11.084428 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%