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

• ChemBase ID: 851537
• Molecular Formular: C23H33N3O2
• Molecular Mass: 383.52702
• Monoisotopic Mass: 383.25727731
• SMILES: n1c(c(oc1c1cc(ccc1)C)C)CN1CCC(C(N2CCOCC2)C)CC1
• Canonical SMILES: Cc1cccc(c1)c1oc(c(n1)CN1CCC(CC1)C(N1CCOCC1)C)C
• InChI: InChI=1S/C23H33N3O2/c1-17-5-4-6-21(15-17)23-24-22(19(3)28-23)16-25-9-7-20(8-10-25)18(2)26-11-13-27-14-12-26/h4-6,15,18,20H,7-14,16H2,1-3H3
• InChIKey: GXZIDOQQOOQXDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6060784
• LogD (pH = 7.4): 1.793487
• Log P: 3.3612404
• Molar Refractivity: 123.8428 cm^3
• Polarizability: 44.507946 Å^3
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.44
• LOG S: -2.36
• Polar Surface Area: 41.74 Å^2
• Rotatable Bonds: 5