4-(benzyloxy)-1-(1,2-oxazole-3-carbonyl)piperidine

• ChemBase ID: 402899
• Molecular Formular: C16H18N2O3
• Molecular Mass: 286.32572
• Monoisotopic Mass: 286.13174245
• SMILES: c1(C(=O)N2CCC(CC2)OCc2ccccc2)nocc1
• Canonical SMILES: O=C(c1nocc1)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C16H18N2O3/c19-16(15-8-11-21-17-15)18-9-6-14(7-10-18)20-12-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2
• InChIKey: WACVPKOFSLGHHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-(1,2-oxazole-3-carbonyl)piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-(1,2-oxazole-3-carbonyl)piperidine
• Synonyms: 4-(benzyloxy)-1-(3-isoxazolylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7072932
• LogD (pH = 7.4): 1.7072932
• Log P: 1.7072932
• Molar Refractivity: 79.0879 cm^3
• Polarizability: 29.77568 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: 0.89
• LOG S: -2.74
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4