3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(pyridin-3-yloxy)ethyl]propanamide

• ChemBase ID: 618939
• Molecular Formular: C17H18N4O3S
• Molecular Mass: 358.41482
• Monoisotopic Mass: 358.10996146
• SMILES: c1(nnc(o1)CCC(=O)NCCOc1cnccc1)c1sc(cc1)C
• Canonical SMILES: O=C(CCc1nnc(o1)c1ccc(s1)C)NCCOc1cccnc1
• InChI: InChI=1S/C17H18N4O3S/c1-12-4-5-14(25-12)17-21-20-16(24-17)7-6-15(22)19-9-10-23-13-3-2-8-18-11-13/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,22)
• InChIKey: BWISZTOSGRXQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(pyridin-3-yloxy)ethyl]propanamide
• IUPAC Traditional name: 3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(pyridin-3-yloxy)ethyl]propanamide
• Synonyms: 3-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.724893
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1242203
• LogD (pH = 7.4): 1.1925391
• Log P: 1.1935028
• Molar Refractivity: 104.4796 cm^3
• Polarizability: 35.995876 Å^3
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.07
• LOG S: -4.36
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 8