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

• ChemBase ID: 695411
• Molecular Formular: C16H13N5O
• Molecular Mass: 291.30732
• Monoisotopic Mass: 291.11201006
• SMILES: n1c(noc1CCc1nc2n(c1)cccc2)c1cnccc1
• Canonical SMILES: c1ccc(cn1)c1noc(n1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C16H13N5O/c1-2-9-21-11-13(18-14(21)5-1)6-7-15-19-16(20-22-15)12-4-3-8-17-10-12/h1-5,8-11H,6-7H2
• InChIKey: RZWNLTLLLXRGNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3576019
• LogD (pH = 7.4): 2.2072036
• Log P: 2.2475095
• Molar Refractivity: 93.1465 cm^3
• Polarizability: 30.900768 Å^3
• Polar Surface Area: 69.11 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: 1.24
• LOG S: -2.38
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 4