1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone

C20H20N4O4 — CID 110414490

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 110414490) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone
• PubChem CID: 110414490
• Molecular Formula: C20H20N4O4
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.15
• IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone
• SMILES: Cc1ccccc1-c1noc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)n1
• InChI: InChI=1S/C20H20N4O4/c1-14-5-2-3-6-15(14)19-21-17(28-22-19)13-18(25)23-8-10-24(11-9-23)20(26)16-7-4-12-27-16/h2-7,12H,8-11,13H2,1H3
• InChIKey: BCFPHQJFHDLFFO-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 92.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone?

The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone (CID 110414490) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone.

What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone?

The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone is Cc1ccccc1-c1noc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)n1.

What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone?

The InChIKey is BCFPHQJFHDLFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-14-5-2-3-6-15(14)19-21-17(28-22-19)13-18(25)23-8-10-24(11-9-23)20(26)16-7-4-12-27-16/h2-7,12H,8-11,13H2,1H3.

What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone?

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 380.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 110414490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).