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

• ChemBase ID: 404862
• Molecular Formular: C20H19N3O3
• Molecular Mass: 349.38316
• Monoisotopic Mass: 349.14264148
• SMILES: c1(noc(c1)c1ccccc1)C(=O)N1CCC(CC1)Oc1cnccc1
• Canonical SMILES: O=C(c1noc(c1)c1ccccc1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C20H19N3O3/c24-20(18-13-19(26-22-18)15-5-2-1-3-6-15)23-11-8-16(9-12-23)25-17-7-4-10-21-14-17/h1-7,10,13-14,16H,8-9,11-12H2
• InChIKey: KGPGASPTEWIMOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9551581
• LogD (pH = 7.4): 2.0224516
• Log P: 2.0233994
• Molar Refractivity: 96.8408 cm^3
• Polarizability: 37.959717 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.34
• LOG S: -2.89
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 4