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

• ChemBase ID: 781145
• Molecular Formular: C20H26N2O3
• Molecular Mass: 342.43204
• Monoisotopic Mass: 342.1943427
• SMILES: c1(C(=O)N2CC(COc3cc(ccc3)C)CCC2)c(nc(o1)CC)C
• Canonical SMILES: CCc1nc(c(o1)C(=O)N1CCCC(C1)COc1cccc(c1)C)C
• InChI: InChI=1S/C20H26N2O3/c1-4-18-21-15(3)19(25-18)20(23)22-10-6-8-16(12-22)13-24-17-9-5-7-14(2)11-17/h5,7,9,11,16H,4,6,8,10,12-13H2,1-3H3
• InChIKey: JVMVBRXDTMENGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7558908
• LogD (pH = 7.4): 2.7558916
• Log P: 2.7558916
• Molar Refractivity: 96.9204 cm^3
• Polarizability: 36.883236 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.0
• LOG S: -3.4
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5