2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

C23H27N5O2 — CID 53114556

About 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 53114556) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
• PubChem CID: 53114556
• Molecular Formula: C23H27N5O2
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.22
• IUPAC Name: 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
• SMILES: Cc1cccc(N2CCN(C(=O)Cn3cccc3-c3nnc(C4CC4)o3)CC2)c1C
• InChI: InChI=1S/C23H27N5O2/c1-16-5-3-6-19(17(16)2)26-11-13-27(14-12-26)21(29)15-28-10-4-7-20(28)23-25-24-22(30-23)18-8-9-18/h3-7,10,18H,8-9,11-15H2,1-2H3
• InChIKey: XZKBMKQIDIHRPU-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 67.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (CID 53114556) is 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)Cn3cccc3-c3nnc(C4CC4)o3)CC2)c1C.

What is the InChIKey of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?

The InChIKey is XZKBMKQIDIHRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-5-3-6-19(17(16)2)26-11-13-27(14-12-26)21(29)15-28-10-4-7-20(28)23-25-24-22(30-23)18-8-9-18/h3-7,10,18H,8-9,11-15H2,1-2H3.

What are the key properties of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?

2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 405.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 53114556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).