3-{5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methyl-N-(propan-2-yl)propanamide

• ChemBase ID: 531878
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1nc(oc1CCc1c[nH]c2c1cccc2)CCC(=O)N(C(C)C)C
• Canonical SMILES: CC(N(C(=O)CCc1nnc(o1)CCc1c[nH]c2c1cccc2)C)C
• InChI: InChI=1S/C19H24N4O2/c1-13(2)23(3)19(24)11-10-18-22-21-17(25-18)9-8-14-12-20-16-7-5-4-6-15(14)16/h4-7,12-13,20H,8-11H2,1-3H3
• InChIKey: AZCSUVSCWHBMLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methyl-N-(propan-2-yl)propanamide
• IUPAC Traditional name: 3-{5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}-N-isopropyl-N-methylpropanamide
• Synonyms: 3-{5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}-N-isopropyl-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.13493
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8171406
• LogD (pH = 7.4): 1.8171407
• Log P: 1.8171407
• Molar Refractivity: 97.9507 cm^3
• Polarizability: 37.853226 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.41
• LOG S: -4.63
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 6