6-[4-(benzyloxy)piperidine-1-carbonyl]-2-cyclohexyl-1,3-benzoxazole

• ChemBase ID: 447007
• Molecular Formular: C26H30N2O3
• Molecular Mass: 418.528
• Monoisotopic Mass: 418.22564283
• SMILES: n1c(oc2c1ccc(C(=O)N1CCC(CC1)OCc1ccccc1)c2)C1CCCCC1
• Canonical SMILES: O=C(c1ccc2c(c1)oc(n2)C1CCCCC1)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C26H30N2O3/c29-26(28-15-13-22(14-16-28)30-18-19-7-3-1-4-8-19)21-11-12-23-24(17-21)31-25(27-23)20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20,22H,2,5-6,9-10,13-16,18H2
• InChIKey: MORSOFJUYQTOJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(benzyloxy)piperidine-1-carbonyl]-2-cyclohexyl-1,3-benzoxazole
• IUPAC Traditional name: 6-[4-(benzyloxy)piperidine-1-carbonyl]-2-cyclohexyl-1,3-benzoxazole
• Synonyms: 6-{[4-(benzyloxy)-1-piperidinyl]carbonyl}-2-cyclohexyl-1,3-benzoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.5400805
• LogD (pH = 7.4): 4.540084
• Log P: 4.540084
• Molar Refractivity: 120.3259 cm^3
• Polarizability: 47.51055 Å^3
• Polar Surface Area: 55.57 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: 4.36
• LOG S: -6.54
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5