4-[(1-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}piperidin-3-yl)methyl]morpholine

• ChemBase ID: 841525
• Molecular Formular: C27H33N3O2
• Molecular Mass: 431.56982
• Monoisotopic Mass: 431.25727731
• SMILES: n1c(c(oc1c1ccc(cc1)c1ccccc1)C)CN1CC(CN2CCOCC2)CCC1
• Canonical SMILES: Cc1oc(nc1CN1CCCC(C1)CN1CCOCC1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C27H33N3O2/c1-21-26(20-30-13-5-6-22(19-30)18-29-14-16-31-17-15-29)28-27(32-21)25-11-9-24(10-12-25)23-7-3-2-4-8-23/h2-4,7-12,22H,5-6,13-20H2,1H3
• InChIKey: XSCJUIVAEKSFEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}piperidin-3-yl)methyl]morpholine
• IUPAC Traditional name: 4-[(1-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}piperidin-3-yl)methyl]morpholine
• Synonyms: 4-[(1-{[2-(4-biphenylyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-piperidinyl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.44322821
• LogD (pH = 7.4): 2.9450655
• Log P: 4.120026
• Molar Refractivity: 139.4202 cm^3
• Polarizability: 51.910522 Å^3
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.52
• LOG S: -3.79
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 6