1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C17H20N6O2S — CID 120880426

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 120880426) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
• PubChem CID: 120880426
• Molecular Formula: C17H20N6O2S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.14
• IUPAC Name: 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
• SMILES: Cn1ccnc1C1CNCCN1C(=O)CCc1nc(-c2ccsc2)no1
• InChI: InChI=1S/C17H20N6O2S/c1-22-7-6-19-17(22)13-10-18-5-8-23(13)15(24)3-2-14-20-16(21-25-14)12-4-9-26-11-12/h4,6-7,9,11,13,18H,2-3,5,8,10H2,1H3
• InChIKey: OUGRZFSJVYYKMH-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 89.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?

The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 120880426) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?

The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one is Cn1ccnc1C1CNCCN1C(=O)CCc1nc(-c2ccsc2)no1.

What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?

The InChIKey is OUGRZFSJVYYKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-22-7-6-19-17(22)13-10-18-5-8-23(13)15(24)3-2-14-20-16(21-25-14)12-4-9-26-11-12/h4,6-7,9,11,13,18H,2-3,5,8,10H2,1H3.

What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 372.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 120880426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).