[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl][1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]amine

• ChemBase ID: 660717
• Molecular Formular: C17H27N5O
• Molecular Mass: 317.42918
• Monoisotopic Mass: 317.22156051
• SMILES: n1(nc(cc1C)C)CC(NCc1nc(no1)C1CCCCC1)C
• Canonical SMILES: CC(Cn1nc(cc1C)C)NCc1onc(n1)C1CCCCC1
• InChI: InChI=1S/C17H27N5O/c1-12-9-14(3)22(20-12)11-13(2)18-10-16-19-17(21-23-16)15-7-5-4-6-8-15/h9,13,15,18H,4-8,10-11H2,1-3H3
• InChIKey: LWDHWNXZPQQOIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl][1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]amine
• IUPAC Traditional name: [(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl][1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amine
• Synonyms: N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7279967
• LogD (pH = 7.4): 2.8107963
• Log P: 2.877164
• Molar Refractivity: 102.2281 cm^3
• Polarizability: 34.421566 Å^3
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.44
• LOG S: -2.59
• Polar Surface Area: 68.77 Å^2
• Rotatable Bonds: 6