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

• ChemBase ID: 397294
• Molecular Formular: C19H20ClN3OS
• Molecular Mass: 373.8996
• Monoisotopic Mass: 373.10156096
• SMILES: n1c(c(oc1c1cc(Cl)ccc1)C)CN1C(c2nccs2)CCCC1
• Canonical SMILES: Clc1cccc(c1)c1oc(c(n1)CN1CCCCC1c1nccs1)C
• InChI: InChI=1S/C19H20ClN3OS/c1-13-16(22-18(24-13)14-5-4-6-15(20)11-14)12-23-9-3-2-7-17(23)19-21-8-10-25-19/h4-6,8,10-11,17H,2-3,7,9,12H2,1H3
• InChIKey: RPRCLCGLRWZMSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3578634
• LogD (pH = 7.4): 4.246074
• Log P: 4.2851367
• Molar Refractivity: 110.8793 cm^3
• Polarizability: 39.430183 Å^3
• Polar Surface Area: 42.16 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: 4.23
• LOG S: -4.51
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4