1-{[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine

• ChemBase ID: 463926
• Molecular Formular: C20H22N2O2
• Molecular Mass: 322.40088
• Monoisotopic Mass: 322.16812795
• SMILES: n1c(oc(c1CN1CC(c2ccccc2)CCC1)C)c1occc1
• Canonical SMILES: Cc1oc(nc1CN1CCCC(C1)c1ccccc1)c1ccco1
• InChI: InChI=1S/C20H22N2O2/c1-15-18(21-20(24-15)19-10-6-12-23-19)14-22-11-5-9-17(13-22)16-7-3-2-4-8-16/h2-4,6-8,10,12,17H,5,9,11,13-14H2,1H3
• InChIKey: LCRJKRFTMQMGBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine
• IUPAC Traditional name: 1-{[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine
• Synonyms: 1-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7551361
• LogD (pH = 7.4): 2.5167708
• Log P: 3.571727
• Molar Refractivity: 104.1387 cm^3
• Polarizability: 36.596386 Å^3
• Polar Surface Area: 42.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.11
• LOG S: -4.05
• Polar Surface Area: 42.41 Å^2
• Rotatable Bonds: 4