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

• ChemBase ID: 596129
• Molecular Formular: C22H23N5O2
• Molecular Mass: 389.45032
• Monoisotopic Mass: 389.185175
• SMILES: n1c2n(cc1CNC(=O)CCc1nnc(o1)CCCc1ccccc1)cccc2
• Canonical SMILES: O=C(CCc1nnc(o1)CCCc1ccccc1)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C22H23N5O2/c28-20(23-15-18-16-27-14-5-4-10-19(27)24-18)12-13-22-26-25-21(29-22)11-6-9-17-7-2-1-3-8-17/h1-5,7-8,10,14,16H,6,9,11-13,15H2,(H,23,28)
• InChIKey: LJMQKBMHUJFBJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.743816
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2222637
• LogD (pH = 7.4): 1.7440339
• Log P: 1.758137
• Molar Refractivity: 111.3699 cm^3
• Polarizability: 41.528168 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.93
• LOG S: -5.64
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 9