1-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(3-fluorophenyl)piperidine

• ChemBase ID: 731307
• Molecular Formular: C24H27FN2O3
• Molecular Mass: 410.4811832
• Monoisotopic Mass: 410.20057095
• SMILES: c1(nc(c(o1)C)CN1C(c2cc(F)ccc2)CCCC1)c1c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1c1nc(c(o1)C)CN1CCCCC1c1cccc(c1)F
• InChI: InChI=1S/C24H27FN2O3/c1-16-21(26-24(30-16)20-11-10-19(28-2)14-23(20)29-3)15-27-12-5-4-9-22(27)17-7-6-8-18(25)13-17/h6-8,10-11,13-14,22H,4-5,9,12,15H2,1-3H3
• InChIKey: CWQFCUWDKWEGCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(3-fluorophenyl)piperidine
• IUPAC Traditional name: 1-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(3-fluorophenyl)piperidine
• Synonyms: 1-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(3-fluorophenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.814627
• LogD (pH = 7.4): 4.365243
• Log P: 4.6243033
• Molar Refractivity: 124.6068 cm^3
• Polarizability: 44.470997 Å^3
• Polar Surface Area: 47.73 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: 4.59
• LOG S: -4.21
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 4