(3-tert-butyl-1,2-oxazol-5-yl)methanamine

• ChemBase ID: 814243
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: C(N)c1onc(c1)C(C)(C)C
• Canonical SMILES: NCc1onc(c1)C(C)(C)C
• InChI: InChI=1S/C8H14N2O/c1-8(2,3)7-4-6(5-9)11-10-7/h4H,5,9H2,1-3H3
• InChIKey: RVDSUZZDSIKIBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-tert-butyl-1,2-oxazol-5-yl)methanamine
• IUPAC Traditional name: (3-tert-butyl-1,2-oxazol-5-yl)methanamine
• Synonyms: (3-tert-butylisoxazol-5-yl)methanamine

Database IDs

• CAS Number: 1196154-38-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8689801
• LogD (pH = 7.4): 0.8072104
• Log P: 1.3144674
• Molar Refractivity: 44.1448 cm^3
• Polarizability: 16.959782 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%