1-(5-{[(5-chloropyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carbonyl)-4-cyclopentylpiperazine

• ChemBase ID: 532067
• Molecular Formular: C19H23ClN4O3
• Molecular Mass: 390.86392
• Monoisotopic Mass: 390.1458683
• SMILES: c1(noc(c1)COc1cc(Cl)cnc1)C(=O)N1CCN(CC1)C1CCCC1
• Canonical SMILES: Clc1cncc(c1)OCc1onc(c1)C(=O)N1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C19H23ClN4O3/c20-14-9-16(12-21-11-14)26-13-17-10-18(22-27-17)19(25)24-7-5-23(6-8-24)15-3-1-2-4-15/h9-12,15H,1-8,13H2
• InChIKey: UMZCBQJUVNKMRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-{[(5-chloropyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carbonyl)-4-cyclopentylpiperazine
• IUPAC Traditional name: 1-(5-{[(5-chloropyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carbonyl)-4-cyclopentylpiperazine
• Synonyms: 1-[(5-{[(5-chloro-3-pyridinyl)oxy]methyl}-3-isoxazolyl)carbonyl]-4-cyclopentylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.09723729
• LogD (pH = 7.4): 1.7384851
• Log P: 2.0966306
• Molar Refractivity: 102.0643 cm^3
• Polarizability: 38.96866 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.54
• LOG S: -2.85
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 5