N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

C23H22N4O4 — CID 26842377

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (PubChem CID 26842377) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
• PubChem CID: 26842377
• Molecular Formula: C23H22N4O4
• Molecular Weight: 418.45 g/mol
• Exact Mass: 418.16
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
• SMILES: CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCCO3)o1
• InChI: InChI=1S/C23H22N4O4/c1-14(2)22-25-26-23(31-22)18-11-15-5-3-4-6-17(15)27(18)13-21(28)24-16-7-8-19-20(12-16)30-10-9-29-19/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,24,28)
• InChIKey: GLYCWNPDMSCRIU-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.45
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (CID 26842377) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCCO3)o1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?

The InChIKey is GLYCWNPDMSCRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14(2)22-25-26-23(31-22)18-11-15-5-3-4-6-17(15)27(18)13-21(28)24-16-7-8-19-20(12-16)30-10-9-29-19/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,24,28).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide has a molecular weight of 418.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 26842377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).