N-[3-(pyridin-3-yl)propyl]-3-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 616155
• Molecular Formular: C17H18N4O2S
• Molecular Mass: 342.41542
• Monoisotopic Mass: 342.11504684
• SMILES: c1(nnc(o1)CCC(=O)NCCCc1cnccc1)c1cscc1
• Canonical SMILES: O=C(CCc1nnc(o1)c1cscc1)NCCCc1cccnc1
• InChI: InChI=1S/C17H18N4O2S/c22-15(19-9-2-4-13-3-1-8-18-11-13)5-6-16-20-21-17(23-16)14-7-10-24-12-14/h1,3,7-8,10-12H,2,4-6,9H2,(H,19,22)
• InChIKey: RDKQMOQZYXLMNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(pyridin-3-yl)propyl]-3-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[3-(pyridin-3-yl)propyl]-3-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[3-(3-pyridinyl)propyl]-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.007482
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2721335
• LogD (pH = 7.4): 1.3632581
• Log P: 1.3645892
• Molar Refractivity: 103.0556 cm^3
• Polarizability: 35.360725 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.11
• LOG S: -4.58
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 8