5-ethyl-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 603261
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: c1(C(=O)NC2CN(CCc3ccccc3)CCC2)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C19H25N3O2/c1-2-17-18(20-14-24-17)19(23)21-16-9-6-11-22(13-16)12-10-15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3,(H,21,23)
• InChIKey: QJPPMCFFFZNVKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-ethyl-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
• Synonyms: 5-ethyl-N-[1-(2-phenylethyl)-3-piperidinyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.315989
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.120181255
• LogD (pH = 7.4): 1.8851647
• Log P: 2.594731
• Molar Refractivity: 94.6421 cm^3
• Polarizability: 35.96103 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.04
• LOG S: -3.4
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5