4-(benzyloxy)-1-(1,2-oxazole-5-carbonyl)piperidine

• ChemBase ID: 754443
• Molecular Formular: C16H18N2O3
• Molecular Mass: 286.32572
• Monoisotopic Mass: 286.13174245
• SMILES: c1(C(=O)N2CCC(CC2)OCc2ccccc2)oncc1
• Canonical SMILES: O=C(c1ccno1)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C16H18N2O3/c19-16(15-6-9-17-21-15)18-10-7-14(8-11-18)20-12-13-4-2-1-3-5-13/h1-6,9,14H,7-8,10-12H2
• InChIKey: CCQXMFVBLOHGQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-(1,2-oxazole-5-carbonyl)piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-(1,2-oxazole-5-carbonyl)piperidine
• Synonyms: 4-(benzyloxy)-1-(5-isoxazolylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2414439
• LogD (pH = 7.4): 1.241444
• Log P: 1.241444
• Molar Refractivity: 79.3374 cm^3
• Polarizability: 29.775436 Å^3
• Polar Surface Area: 55.57 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: 0.33
• LOG S: -2.88
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4