N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 343804
• Molecular Formular: C23H25N5O2
• Molecular Mass: 403.4769
• Monoisotopic Mass: 403.20082507
• SMILES: c12n(cc(n1)CNC(=O)CCc1nnc(o1)CCCc1ccccc1)cccc2C
• Canonical SMILES: O=C(NCc1cn2c(n1)c(C)ccc2)CCc1nnc(o1)CCCc1ccccc1
• InChI: InChI=1S/C23H25N5O2/c1-17-7-6-14-28-16-19(25-23(17)28)15-24-20(29)12-13-22-27-26-21(30-22)11-5-10-18-8-3-2-4-9-18/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,24,29)
• InChIKey: XLMUUAGGFJQVAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• Acid pKa: 14.833747
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5663375
• LogD (pH = 7.4): 2.2469811
• Log P: 2.2715583
• Molar Refractivity: 116.4111 cm^3
• Polarizability: 43.29077 Å^3
• Polar Surface Area: 85.32 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 9
• H Acceptors: 6
• H Donor: 1
• Log P: 1.43
• LOG S: -6.14
• Polar Surface Area: 85.32 Å^2