N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide

C24H28FN5O2 — CID 78898091

About N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide (PubChem CID 78898091) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
• PubChem CID: 78898091
• Molecular Formula: C24H28FN5O2
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.22
• IUPAC Name: N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
• SMILES: Cc1cc(-c2noc(C(C)N3CCN(CC(=O)NCc4ccccc4)CC3)n2)ccc1F
• InChI: InChI=1S/C24H28FN5O2/c1-17-14-20(8-9-21(17)25)23-27-24(32-28-23)18(2)30-12-10-29(11-13-30)16-22(31)26-15-19-6-4-3-5-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31)
• InChIKey: VPKAPIIJCDIOTE-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide (CID 78898091) is N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide is Cc1cc(-c2noc(C(C)N3CCN(CC(=O)NCc4ccccc4)CC3)n2)ccc1F.

What is the InChIKey of N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?

The InChIKey is VPKAPIIJCDIOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-17-14-20(8-9-21(17)25)23-27-24(32-28-23)18(2)30-12-10-29(11-13-30)16-22(31)26-15-19-6-4-3-5-7-19/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,26,31).

What are the key properties of N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?

N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78898091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).