4-tert-butyl-1,3-oxazol-2-amine

• ChemBase ID: 813729
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: o1c(nc(c1)C(C)(C)C)N
• Canonical SMILES: CC(c1coc(n1)N)(C)C
• InChI: InChI=1S/C7H12N2O/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3,(H2,8,9)
• InChIKey: FTOYMHROZMWLAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-tert-butyl-1,3-oxazol-2-amine
• IUPAC Traditional name: 4-tert-butyl-1,3-oxazol-2-amine
• Synonyms: 4-tert-butyloxazol-2-amine

Database IDs

• CAS Number: 97567-79-8

CALCULATED PROPERTIES

• Acid pKa: 14.204682
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7009807
• LogD (pH = 7.4): 1.7013628
• Log P: 1.7013679
• Molar Refractivity: 39.235 cm^3
• Polarizability: 14.744921 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%