4-(4-fluorophenoxy)-1-{[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine

• ChemBase ID: 706097
• Molecular Formular: C24H27FN2O3
• Molecular Mass: 410.4811832
• Monoisotopic Mass: 410.20057095
• SMILES: n1c(c(oc1c1cc(c(cc1)OC)C)C)CN1CCC(Oc2ccc(F)cc2)CC1
• Canonical SMILES: COc1ccc(cc1C)c1oc(c(n1)CN1CCC(CC1)Oc1ccc(cc1)F)C
• InChI: InChI=1S/C24H27FN2O3/c1-16-14-18(4-9-23(16)28-3)24-26-22(17(2)29-24)15-27-12-10-21(11-13-27)30-20-7-5-19(25)6-8-20/h4-9,14,21H,10-13,15H2,1-3H3
• InChIKey: VFPIKFZWIGWJPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3847466
• LogD (pH = 7.4): 3.9943373
• Log P: 4.3130007
• Molar Refractivity: 124.7442 cm^3
• Polarizability: 44.39433 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: 4.7
• LOG S: -5.33
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 5