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

• ChemBase ID: 766772
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: c1(noc(c1)CCC)C(=O)N1CCC(CC1)Oc1ccncc1
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCC(CC1)Oc1ccncc1
• InChI: InChI=1S/C17H21N3O3/c1-2-3-15-12-16(19-23-15)17(21)20-10-6-14(7-11-20)22-13-4-8-18-9-5-13/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3
• InChIKey: QIYCCLCBLUNMAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9026101
• LogD (pH = 7.4): 1.5799513
• Log P: 1.6228251
• Molar Refractivity: 86.1018 cm^3
• Polarizability: 32.48434 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.88
• LOG S: -2.25
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 5