4-(4-tert-butylphenyl)-1,2-oxazol-5-amine

• ChemBase ID: 312118
• Molecular Formular: C13H16N2O
• Molecular Mass: 216.27894
• Monoisotopic Mass: 216.12626314
• SMILES: c1(c(onc1)N)c1ccc(C(C)(C)C)cc1
• Canonical SMILES: Nc1oncc1c1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C13H16N2O/c1-13(2,3)10-6-4-9(5-7-10)11-8-15-16-12(11)14/h4-8H,14H2,1-3H3
• InChIKey: XVNQLQVQPSTWOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-tert-butylphenyl)-1,2-oxazol-5-amine
• IUPAC Traditional name: 4-(4-tert-butylphenyl)-1,2-oxazol-5-amine
• Synonyms: 4-(4-tert-butylphenyl)-5-isoxazolamine

Database IDs

• CAS Number: 838875-87-9
• MDL Number: MFCD06633635

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.790404
• LogD (pH = 7.4): 2.7904375
• Log P: 2.790438
• Molar Refractivity: 65.2558 cm^3
• Polarizability: 25.709814 Å^3
• Polar Surface Area: 52.05 Å^2