5-{7-methylimidazo[1,2-a]pyridin-2-yl}-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole

• ChemBase ID: 430620
• Molecular Formular: C15H16N4O2
• Molecular Mass: 284.31314
• Monoisotopic Mass: 284.12732577
• SMILES: c1(c2nc(no2)CC2OCCC2)nc2n(c1)ccc(c2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)c1onc(n1)CC1CCCO1
• InChI: InChI=1S/C15H16N4O2/c1-10-4-5-19-9-12(16-14(19)7-10)15-17-13(18-21-15)8-11-3-2-6-20-11/h4-5,7,9,11H,2-3,6,8H2,1H3
• InChIKey: PYNIHZMGSXTTSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{7-methylimidazo[1,2-a]pyridin-2-yl}-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-{7-methylimidazo[1,2-a]pyridin-2-yl}-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
• Synonyms: 7-methyl-2-[3-(tetrahydro-2-furanylmethyl)-1,2,4-oxadiazol-5-yl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.569877
• LogD (pH = 7.4): 2.608664
• Log P: 2.6091828
• Molar Refractivity: 89.3117 cm^3
• Polarizability: 29.563559 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.64
• LOG S: -2.68
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 3