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

• ChemBase ID: 814675
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: o1c(ncc1C(C)(C)C)N
• Canonical SMILES: CC(c1cnc(o1)N)(C)C
• InChI: InChI=1S/C7H12N2O/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3,(H2,8,9)
• InChIKey: GYWBXEAFBLQSHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-tert-butyl-1,3-oxazol-2-amine
• IUPAC Traditional name: 5-tert-butyl-1,3-oxazol-2-amine
• Synonyms: 5-tert-butyloxazol-2-amine

Database IDs

• CAS Number: 33124-07-1

CALCULATED PROPERTIES

• Acid pKa: 14.779826
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2334975
• LogD (pH = 7.4): 1.2354931
• Log P: 1.2355187
• Molar Refractivity: 39.4845 cm^3
• Polarizability: 14.745233 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%