[(5-cyclopropyl-1,2-oxazol-3-yl)methyl][(2,2-dimethyloxan-4-yl)methyl]methylamine

• ChemBase ID: 774832
• Molecular Formular: C16H26N2O2
• Molecular Mass: 278.38984
• Monoisotopic Mass: 278.19942808
• SMILES: c1(cc(no1)CN(CC1CC(OCC1)(C)C)C)C1CC1
• Canonical SMILES: CN(Cc1noc(c1)C1CC1)CC1CCOC(C1)(C)C
• InChI: InChI=1S/C16H26N2O2/c1-16(2)9-12(6-7-19-16)10-18(3)11-14-8-15(20-17-14)13-4-5-13/h8,12-13H,4-7,9-11H2,1-3H3
• InChIKey: IVMKQBCRNKTIJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclopropyl-1,2-oxazol-3-yl)methyl][(2,2-dimethyloxan-4-yl)methyl]methylamine
• IUPAC Traditional name: [(5-cyclopropyl-1,2-oxazol-3-yl)methyl][(2,2-dimethyloxan-4-yl)methyl]methylamine
• Synonyms: 1-(5-cyclopropylisoxazol-3-yl)-N-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.28474307
• LogD (pH = 7.4): 1.4682585
• Log P: 2.102929
• Molar Refractivity: 80.2141 cm^3
• Polarizability: 30.930199 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.36
• LOG S: -2.24
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5