3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide

C26H28N4O3 — CID 52554505

About 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide (PubChem CID 52554505) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide.

Molecular Properties

• Compound Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
• PubChem CID: 52554505
• Molecular Formula: C26H28N4O3
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.22
• IUPAC Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
• SMILES: COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC2(c3noc(C)n3)CCCC2)cc1
• InChI: InChI=1S/C26H28N4O3/c1-17-27-25(30-33-17)26(15-5-6-16-26)29-23(31)14-13-21-20-7-3-4-8-22(20)28-24(21)18-9-11-19(32-2)12-10-18/h3-4,7-12,28H,5-6,13-16H2,1-2H3,(H,29,31)
• InChIKey: DVXAGZMRFUHDBF-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 93.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide?

The IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide (CID 52554505) is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide.

What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide?

The canonical SMILES for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC2(c3noc(C)n3)CCCC2)cc1.

What is the InChIKey of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide?

The InChIKey is DVXAGZMRFUHDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-17-27-25(30-33-17)26(15-5-6-16-26)29-23(31)14-13-21-20-7-3-4-8-22(20)28-24(21)18-9-11-19(32-2)12-10-18/h3-4,7-12,28H,5-6,13-16H2,1-2H3,(H,29,31).

What are the key properties of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide?

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide has a molecular weight of 444.54 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide is sourced from PubChem (CID 52554505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).