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

• ChemBase ID: 747604
• Molecular Formular: C20H23N3O2S
• Molecular Mass: 369.48052
• Monoisotopic Mass: 369.15109799
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)NC(Cc1cscc1)C
• Canonical SMILES: CC(Cc1cscc1)NC(=O)CCc1nnc(o1)CCc1ccccc1
• InChI: InChI=1S/C20H23N3O2S/c1-15(13-17-11-12-26-14-17)21-18(24)8-10-20-23-22-19(25-20)9-7-16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3,(H,21,24)
• InChIKey: JDEGZJJROAAJCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(thiophen-3-yl)propan-2-yl]propanamide
• IUPAC Traditional name: 3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(thiophen-3-yl)propan-2-yl]propanamide
• Synonyms: N-[1-methyl-2-(3-thienyl)ethyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.932959
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9314709
• LogD (pH = 7.4): 2.9314709
• Log P: 2.9314709
• Molar Refractivity: 103.6923 cm^3
• Polarizability: 39.067818 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.82
• LOG S: -5.47
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 9