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

C22H23N5O3 — CID 53005791

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

N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 53005791) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
• PubChem CID: 53005791
• Molecular Formula: C22H23N5O3
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.18
• IUPAC Name: N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
• SMILES: Cc1nc(-c2ccc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)cc2)no1
• InChI: InChI=1S/C22H23N5O3/c1-16-24-21(25-30-16)17-7-9-19(10-8-17)26-11-13-27(14-12-26)20(28)15-23-22(29)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,23,29)
• InChIKey: JZMAGBCRNKTNBS-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 53005791) is N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide.

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

The canonical SMILES for N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide is Cc1nc(-c2ccc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)cc2)no1.

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

The InChIKey is JZMAGBCRNKTNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-16-24-21(25-30-16)17-7-9-19(10-8-17)26-11-13-27(14-12-26)20(28)15-23-22(29)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,23,29).

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

N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 405.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 53005791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).