N-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 749894
• Molecular Formular: C22H23N5O2
• Molecular Mass: 389.45032
• Monoisotopic Mass: 389.185175
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCCc1nc(no1)c1cnccc1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCCc1onc(n1)c1cccnc1
• InChI: InChI=1S/C22H23N5O2/c1-13-9-14(2)21-18(10-13)17(15(3)25-21)11-19(28)24-8-6-20-26-22(27-29-20)16-5-4-7-23-12-16/h4-5,7,9-10,12,25H,6,8,11H2,1-3H3,(H,24,28)
• InChIKey: OCCVDCRWDLYXCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-{2-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl}-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.3841505
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.357515
• LogD (pH = 7.4): 3.3632276
• Log P: 3.363301
• Molar Refractivity: 122.9124 cm^3
• Polarizability: 43.48132 Å^3
• Polar Surface Area: 96.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.14
• LOG S: -4.72
• Polar Surface Area: 96.7 Å^2
• Rotatable Bonds: 6