3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one

C25H28N4O3 — CID 24660929

About 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one

3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one (PubChem CID 24660929) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one
• PubChem CID: 24660929
• Molecular Formula: C25H28N4O3
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.22
• IUPAC Name: 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one
• SMILES: Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(C(=O)CC(C)C)CC3)cc2)o1
• InChI: InChI=1S/C25H28N4O3/c1-17(2)16-22(30)28-12-14-29(15-13-28)25(31)20-10-8-19(9-11-20)23-26-27-24(32-23)21-7-5-4-6-18(21)3/h4-11,17H,12-16H2,1-3H3
• InChIKey: UREHCKYYFHUXIS-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one?

The IUPAC name of 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one (CID 24660929) is 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one.

What is the SMILES notation for 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one?

The canonical SMILES for 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N3CCN(C(=O)CC(C)C)CC3)cc2)o1.

What is the InChIKey of 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one?

The InChIKey is UREHCKYYFHUXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17(2)16-22(30)28-12-14-29(15-13-28)25(31)20-10-8-19(9-11-20)23-26-27-24(32-23)21-7-5-4-6-18(21)3/h4-11,17H,12-16H2,1-3H3.

What are the key properties of 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one?

3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one has a molecular weight of 432.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 24660929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).