5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C₁₁H₁₃ClN₄OS — CID 80641181

About 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 80641181) has the molecular formula C₁₁H₁₃ClN₄OS and a molecular weight of 284.77 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
• PubChem CID: 80641181
• Molecular Formula: C₁₁H₁₃ClN₄OS
• Molecular Weight: 284.77 g/mol
• Exact Mass: 284.05
• IUPAC Name: 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
• SMILES: Clc1ccsc1-c1nc(CN2CCNCC2)no1
• InChI: InChI=1S/C11H13ClN4OS/c12-8-1-6-18-10(8)11-14-9(15-17-11)7-16-4-2-13-3-5-16/h1,6,13H,2-5,7H2
• InChIKey: YSEFPWPEVVCMKR-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 54.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.77
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?

The IUPAC name of 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 80641181) is 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is Clc1ccsc1-c1nc(CN2CCNCC2)no1.

What is the InChIKey of 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?

The InChIKey is YSEFPWPEVVCMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4OS/c12-8-1-6-18-10(8)11-14-9(15-17-11)7-16-4-2-13-3-5-16/h1,6,13H,2-5,7H2.

What are the key properties of 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?

5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 284.77 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80641181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 80641181 — identifiers, structure, computed properties (public domain)

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