4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide

C25H30N6O3 — CID 55628105

About 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide

4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide (PubChem CID 55628105) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide.

Molecular Properties

• Compound Name: 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide
• PubChem CID: 55628105
• Molecular Formula: C25H30N6O3
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.24
• IUPAC Name: 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide
• SMILES: Cc1ccc(-c2noc(C(C)N3CCN(C(C)C(=O)Nc4ccc(C(N)=O)cc4)CC3)n2)cc1
• InChI: InChI=1S/C25H30N6O3/c1-16-4-6-20(7-5-16)23-28-25(34-29-23)18(3)31-14-12-30(13-15-31)17(2)24(33)27-21-10-8-19(9-11-21)22(26)32/h4-11,17-18H,12-15H2,1-3H3,(H2,26,32)(H,27,33)
• InChIKey: LQAYGKRVYIGDNS-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 117.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide?

The IUPAC name of 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide (CID 55628105) is 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide.

What is the SMILES notation for 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide?

The canonical SMILES for 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide is Cc1ccc(-c2noc(C(C)N3CCN(C(C)C(=O)Nc4ccc(C(N)=O)cc4)CC3)n2)cc1.

What is the InChIKey of 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide?

The InChIKey is LQAYGKRVYIGDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-16-4-6-20(7-5-16)23-28-25(34-29-23)18(3)31-14-12-30(13-15-31)17(2)24(33)27-21-10-8-19(9-11-21)22(26)32/h4-11,17-18H,12-15H2,1-3H3,(H2,26,32)(H,27,33).

What are the key properties of 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide?

4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide has a molecular weight of 462.55 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide is sourced from PubChem (CID 55628105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).