N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide

• ChemBase ID: 221490
• Molecular Formular: C15H16N4O3
• Molecular Mass: 300.31254
• Monoisotopic Mass: 300.12224039
• SMILES: c1(nc(no1)C)C(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)c1onc(n1)C)c[nH]2
• InChI: InChI=1S/C15H16N4O3/c1-9-18-15(22-19-9)14(20)16-6-5-10-8-17-13-4-3-11(21-2)7-12(10)13/h3-4,7-8,17H,5-6H2,1-2H3,(H,16,20)
• InChIKey: BAHOFPLULDITLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide

Database IDs

• PubChem SID: 164277400
• PubChem CID: 29147475

CALCULATED PROPERTIES

• Acid pKa: 11.838739
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6365393
• LogD (pH = 7.4): 1.6365252
• Log P: 1.6365396
• Molar Refractivity: 81.6681 cm^3
• Polarizability: 31.056486 Å^3
• Polar Surface Area: 93.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds