1-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)piperidine

• ChemBase ID: 515869
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: c1(C(=O)N2C(CCc3ccccc3)CCCC2)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)N1CCCCC1CCc1ccccc1
• InChI: InChI=1S/C19H24N2O2/c1-2-17-18(20-14-23-17)19(22)21-13-7-6-10-16(21)12-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,2,6-7,10-13H2,1H3
• InChIKey: PRPCYHIERNMHMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)piperidine
• IUPAC Traditional name: 1-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)piperidine
• Synonyms: 1-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-2-(2-phenylethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6888998
• LogD (pH = 7.4): 3.6888998
• Log P: 3.6888998
• Molar Refractivity: 90.7217 cm^3
• Polarizability: 34.509483 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.84
• LOG S: -3.9
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5