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

• ChemBase ID: 405703
• Molecular Formular: C18H17N5O2S
• Molecular Mass: 367.42488
• Monoisotopic Mass: 367.11029581
• SMILES: c1(nnc(o1)CCC(=O)NCCc1nc2n(c1)cccc2)c1cscc1
• Canonical SMILES: O=C(CCc1nnc(o1)c1ccsc1)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C18H17N5O2S/c24-16(4-5-17-21-22-18(25-17)13-7-10-26-12-13)19-8-6-14-11-23-9-2-1-3-15(23)20-14/h1-3,7,9-12H,4-6,8H2,(H,19,24)
• InChIKey: ZGWFHUDEESAUOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.055753
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.22540106
• LogD (pH = 7.4): 0.9273755
• Log P: 0.95382005
• Molar Refractivity: 109.9121 cm^3
• Polarizability: 37.386456 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.29
• LOG S: -5.15
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 7