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

• ChemBase ID: 691334
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c1(C(=O)N2CC(OCc3ncccc3)CCC2)noc(c1)CCC
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCCC(C1)OCc1ccccn1
• InChI: InChI=1S/C18H23N3O3/c1-2-6-15-11-17(20-24-15)18(22)21-10-5-8-16(12-21)23-13-14-7-3-4-9-19-14/h3-4,7,9,11,16H,2,5-6,8,10,12-13H2,1H3
• InChIKey: RMISIBUUKVWJBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1870086
• LogD (pH = 7.4): 2.1950445
• Log P: 2.195148
• Molar Refractivity: 90.4627 cm^3
• Polarizability: 34.33191 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: 0.49
• LOG S: -0.72
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6