methyl({[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl})amine

• ChemBase ID: 308903
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: n1oc(cc1CNC)C(C)C
• Canonical SMILES: CNCc1noc(c1)C(C)C
• InChI: InChI=1S/C8H14N2O/c1-6(2)8-4-7(5-9-3)10-11-8/h4,6,9H,5H2,1-3H3
• InChIKey: ULKUMIYKNMTEQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl})amine
• IUPAC Traditional name: [(5-isopropyl-1,2-oxazol-3-yl)methyl](methyl)amine
• Synonyms: 1-(5-isopropyl-3-isoxazolyl)-N-methylmethanamine

Database IDs

• CAS Number: 1160246-01-4
• MDL Number: MFCD11215375

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2678543
• LogD (pH = 7.4): 0.4555027
• Log P: 1.0646685
• Molar Refractivity: 44.3711 cm^3
• Polarizability: 16.962244 Å^3
• Polar Surface Area: 38.06 Å^2