N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 686561
• Molecular Formular: C17H26N4O2S
• Molecular Mass: 350.47894
• Monoisotopic Mass: 350.17764709
• SMILES: c1(nnc(o1)CCC(=O)NCC(CN(C)C)(C)C)c1sc(cc1)C
• Canonical SMILES: CN(CC(CNC(=O)CCc1nnc(o1)c1ccc(s1)C)(C)C)C
• InChI: InChI=1S/C17H26N4O2S/c1-12-6-7-13(24-12)16-20-19-15(23-16)9-8-14(22)18-10-17(2,3)11-21(4)5/h6-7H,8-11H2,1-5H3,(H,18,22)
• InChIKey: GUDWYZHKPHJVHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.416649
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5135559
• LogD (pH = 7.4): -0.09598975
• Log P: 1.817405
• Molar Refractivity: 107.7281 cm^3
• Polarizability: 37.317448 Å^3
• Polar Surface Area: 71.26 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: 1.51
• LOG S: -3.27
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7