({3-[(1-cyclohexanecarbonylpiperidin-4-yl)oxy]phenyl}methyl)(methyl)(1,2-oxazol-3-ylmethyl)amine

• ChemBase ID: 338511
• Molecular Formular: C24H33N3O3
• Molecular Mass: 411.53712
• Monoisotopic Mass: 411.25219193
• SMILES: N1(C(=O)C2CCCCC2)CCC(Oc2cc(CN(Cc3nocc3)C)ccc2)CC1
• Canonical SMILES: CN(Cc1nocc1)Cc1cccc(c1)OC1CCN(CC1)C(=O)C1CCCCC1
• InChI: InChI=1S/C24H33N3O3/c1-26(18-21-12-15-29-25-21)17-19-6-5-9-23(16-19)30-22-10-13-27(14-11-22)24(28)20-7-3-2-4-8-20/h5-6,9,12,15-16,20,22H,2-4,7-8,10-11,13-14,17-18H2,1H3
• InChIKey: JDCIXECTCJCSGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({3-[(1-cyclohexanecarbonylpiperidin-4-yl)oxy]phenyl}methyl)(methyl)(1,2-oxazol-3-ylmethyl)amine
• IUPAC Traditional name: ({3-[(1-cyclohexanecarbonylpiperidin-4-yl)oxy]phenyl}methyl)(methyl)(1,2-oxazol-3-ylmethyl)amine
• Synonyms: (3-{[1-(cyclohexylcarbonyl)-4-piperidinyl]oxy}benzyl)(3-isoxazolylmethyl)methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1549525
• LogD (pH = 7.4): 3.2295632
• Log P: 3.2946644
• Molar Refractivity: 117.5208 cm^3
• Polarizability: 45.47559 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.94
• LOG S: -2.92
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7