2-(5-{6-chloroimidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-3-yl)pyridine

• ChemBase ID: 489390
• Molecular Formular: C14H8ClN5O
• Molecular Mass: 297.69922
• Monoisotopic Mass: 297.04173758
• SMILES: c1(c2nc(no2)c2ncccc2)nc2n(c1)cc(cc2)Cl
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)c1onc(n1)c1ccccn1
• InChI: InChI=1S/C14H8ClN5O/c15-9-4-5-12-17-11(8-20(12)7-9)14-18-13(19-21-14)10-3-1-2-6-16-10/h1-8H
• InChIKey: LLUMHVQMPPUKAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-{6-chloroimidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-3-yl)pyridine
• IUPAC Traditional name: 2-(5-{6-chloroimidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-3-yl)pyridine
• Synonyms: 6-chloro-2-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 98.9691 cm^3
• Polarizability: 29.974949 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.238631
• LogD (pH = 7.4): 3.272801
• Log P: 3.273255

供应商提供(Chembridge)

• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• H Acceptors: 5
• H Donor: 0
• Log P: 2.5
• LOG S: -3.51