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

• ChemBase ID: 863132
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: c1(C(=O)N2C(CC)CCCC2)onc(c1)CCc1ccccc1
• Canonical SMILES: CCC1CCCCN1C(=O)c1onc(c1)CCc1ccccc1
• InChI: InChI=1S/C19H24N2O2/c1-2-17-10-6-7-13-21(17)19(22)18-14-16(20-23-18)12-11-15-8-4-3-5-9-15/h3-5,8-9,14,17H,2,6-7,10-13H2,1H3
• InChIKey: BIZDDFWFJBHCPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine
• IUPAC Traditional name: 2-ethyl-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine
• Synonyms: 2-ethyl-1-{[3-(2-phenylethyl)-5-isoxazolyl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7555263
• LogD (pH = 7.4): 3.755527
• Log P: 3.755527
• Molar Refractivity: 91.2485 cm^3
• Polarizability: 34.433983 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: 3.56
• LOG S: -4.86
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4