{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl){[1-(2-methylpropyl)piperidin-4-yl]methyl}amine

• ChemBase ID: 582270
• Molecular Formular: C22H32ClN3O
• Molecular Mass: 389.96198
• Monoisotopic Mass: 389.22339034
• SMILES: c1(nc(c(o1)C)CN(CC1CCN(CC(C)C)CC1)C)c1c(Cl)cccc1
• Canonical SMILES: CN(Cc1nc(oc1C)c1ccccc1Cl)CC1CCN(CC1)CC(C)C
• InChI: InChI=1S/C22H32ClN3O/c1-16(2)13-26-11-9-18(10-12-26)14-25(4)15-21-17(3)27-22(24-21)19-7-5-6-8-20(19)23/h5-8,16,18H,9-15H2,1-4H3
• InChIKey: JUKNGSYEIRZBAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl){[1-(2-methylpropyl)piperidin-4-yl]methyl}amine
• IUPAC Traditional name: {[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl){[1-(2-methylpropyl)piperidin-4-yl]methyl}amine
• Synonyms: 1-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(1-isobutyl-4-piperidinyl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.43549
• LogD (pH = 7.4): 1.1656156
• Log P: 4.498092
• Molar Refractivity: 123.8573 cm^3
• Polarizability: 44.658337 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.59
• LOG S: -3.68
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 6