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

• ChemBase ID: 863100
• Molecular Formular: C21H19N5O2
• Molecular Mass: 373.40786
• Monoisotopic Mass: 373.15387487
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N1C(c2nc(no2)c2ccccc2)CCC1
• Canonical SMILES: O=C(N1CCCC1c1onc(n1)c1ccccc1)c1cn2c(n1)cccc2C
• InChI: InChI=1S/C21H19N5O2/c1-14-7-5-11-18-22-16(13-26(14)18)21(27)25-12-6-10-17(25)20-23-19(24-28-20)15-8-3-2-4-9-15/h2-5,7-9,11,13,17H,6,10,12H2,1H3
• InChIKey: PNDAQNSGMXREOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3467476
• LogD (pH = 7.4): 3.351698
• Log P: 3.3517616
• Molar Refractivity: 116.839 cm^3
• Polarizability: 39.512577 Å^3
• Polar Surface Area: 76.53 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: 2.51
• LOG S: -4.07
• Polar Surface Area: 76.53 Å^2
• Rotatable Bonds: 3