3-({[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxy}methyl)pyridine

• ChemBase ID: 565275
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c1(noc(c1)CCC)C(=O)N1CCC(CC1)OCc1cnccc1
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCC(CC1)OCc1cccnc1
• InChI: InChI=1S/C18H23N3O3/c1-2-4-16-11-17(20-24-16)18(22)21-9-6-15(7-10-21)23-13-14-5-3-8-19-12-14/h3,5,8,11-12,15H,2,4,6-7,9-10,13H2,1H3
• InChIKey: NMDZHHFGEAVYLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxy}methyl)pyridine
• IUPAC Traditional name: 3-({[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxy}methyl)pyridine
• Synonyms: 3-[({1-[(5-propyl-3-isoxazolyl)carbonyl]-4-piperidinyl}oxy)methyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.596124
• LogD (pH = 7.4): 1.6554477
• Log P: 1.6562731
• Molar Refractivity: 91.2057 cm^3
• Polarizability: 34.33082 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.56
• LOG S: -0.78
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6