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

C22H21ClN4O2 — CID 26842451

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

N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (PubChem CID 26842451) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
• PubChem CID: 26842451
• Molecular Formula: C22H21ClN4O2
• Molecular Weight: 408.89 g/mol
• Exact Mass: 408.14
• IUPAC Name: N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
• SMILES: CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)o1
• InChI: InChI=1S/C22H21ClN4O2/c1-14(2)10-21-25-26-22(29-21)19-11-15-6-3-4-9-18(15)27(19)13-20(28)24-17-8-5-7-16(23)12-17/h3-9,11-12,14H,10,13H2,1-2H3,(H,24,28)
• InChIKey: NZWMFIPCDSOUDE-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.89
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (CID 26842451) is N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

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

The canonical SMILES for N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)o1.

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

The InChIKey is NZWMFIPCDSOUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-14(2)10-21-25-26-22(29-21)19-11-15-6-3-4-9-18(15)27(19)13-20(28)24-17-8-5-7-16(23)12-17/h3-9,11-12,14H,10,13H2,1-2H3,(H,24,28).

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

N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide has a molecular weight of 408.89 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is sourced from PubChem (CID 26842451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).