N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

C22H20N4O4 — CID 16835967

About N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (PubChem CID 16835967) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
• PubChem CID: 16835967
• Molecular Formula: C22H20N4O4
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.15
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
• SMILES: CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCO3)o1
• InChI: InChI=1S/C22H20N4O4/c1-2-5-21-24-25-22(30-21)17-10-14-6-3-4-7-16(14)26(17)12-20(27)23-15-8-9-18-19(11-15)29-13-28-18/h3-4,6-11H,2,5,12-13H2,1H3,(H,23,27)
• InChIKey: FLYLNMPKPXFGJQ-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (CID 16835967) is N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCO3)o1.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?

The InChIKey is FLYLNMPKPXFGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-2-5-21-24-25-22(30-21)17-10-14-6-3-4-7-16(14)26(17)12-20(27)23-15-8-9-18-19(11-15)29-13-28-18/h3-4,6-11H,2,5,12-13H2,1H3,(H,23,27).

What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?

N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide has a molecular weight of 404.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 16835967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).