N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide

C21H22ClN5O2 — CID 9434359

About N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 9434359) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
• PubChem CID: 9434359
• Molecular Formula: C21H22ClN5O2
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.15
• IUPAC Name: N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
• SMILES: O=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)Nc1ccccc1Cl
• InChI: InChI=1S/C21H22ClN5O2/c22-17-8-4-5-9-18(17)23-19(28)14-26-10-12-27(13-11-26)15-20-24-25-21(29-20)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,28)
• InChIKey: JBPZKKVZMTUIKC-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide (CID 9434359) is N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide.

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

The canonical SMILES for N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2nnc(-c3ccccc3)o2)CC1)Nc1ccccc1Cl.

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

The InChIKey is JBPZKKVZMTUIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c22-17-8-4-5-9-18(17)23-19(28)14-26-10-12-27(13-11-26)15-20-24-25-21(29-20)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,28).

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

N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 411.89 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9434359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).