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

• ChemBase ID: 220557
• Molecular Formular: C23H24N4O4
• Molecular Mass: 420.46106
• Monoisotopic Mass: 420.17975527
• SMILES: n1c(onc1c1ccc(OC(C)C)cc1)C(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)c1onc(n1)c1ccc(cc1)OC(C)C)c[nH]2
• InChI: InChI=1S/C23H24N4O4/c1-14(2)30-17-6-4-15(5-7-17)21-26-23(31-27-21)22(28)24-11-10-16-13-25-20-9-8-18(29-3)12-19(16)20/h4-9,12-14,25H,10-11H2,1-3H3,(H,24,28)
• InChIKey: OYOFHBNOGSBJOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276467
• PubChem CID: 42506548

CALCULATED PROPERTIES

• Acid pKa: 12.293427
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 4.0440736
• LogD (pH = 7.4): 4.0440683
• Log P: 4.0440736
• Molar Refractivity: 128.0854 cm^3
• Polarizability: 45.75244 Å^3
• Polar Surface Area: 102.27 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds