5-(1-{imidazo[1,2-a]pyrimidine-2-carbonyl}pyrrolidin-2-yl)-3-phenyl-1,2,4-oxadiazole

• ChemBase ID: 505734
• Molecular Formular: C19H16N6O2
• Molecular Mass: 360.36934
• Monoisotopic Mass: 360.13347378
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1C(c2nc(no2)c2ccccc2)CCC1
• Canonical SMILES: O=C(N1CCCC1c1onc(n1)c1ccccc1)c1cn2c(n1)nccc2
• InChI: InChI=1S/C19H16N6O2/c26-18(14-12-24-10-5-9-20-19(24)21-14)25-11-4-8-15(25)17-22-16(23-27-17)13-6-2-1-3-7-13/h1-3,5-7,9-10,12,15H,4,8,11H2
• InChIKey: QFXUCKBLUSUEHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-{imidazo[1,2-a]pyrimidine-2-carbonyl}pyrrolidin-2-yl)-3-phenyl-1,2,4-oxadiazole
• IUPAC Traditional name: 5-(1-{imidazo[1,2-a]pyrimidine-2-carbonyl}pyrrolidin-2-yl)-3-phenyl-1,2,4-oxadiazole
• Synonyms: 2-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]carbonyl}imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3034644
• LogD (pH = 7.4): 2.3034763
• Log P: 2.3034766
• Molar Refractivity: 110.5425 cm^3
• Polarizability: 36.889175 Å^3
• Polar Surface Area: 89.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.11
• LOG S: -2.77
• Polar Surface Area: 89.42 Å^2
• Rotatable Bonds: 3