5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

C17H21N5O3S2 — CID 90642834

About 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 90642834) has the molecular formula C17H21N5O3S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
• PubChem CID: 90642834
• Molecular Formula: C17H21N5O3S2
• Molecular Weight: 407.52 g/mol
• Exact Mass: 407.11
• IUPAC Name: 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
• SMILES: Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
• InChI: InChI=1S/C17H21N5O3S2/c1-11-16(12(2)20-19-11)27(23,24)22-6-3-4-13(9-22)8-15-18-17(21-25-15)14-5-7-26-10-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3,(H,19,20)
• InChIKey: SLDVYXZPGJXRIG-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 104.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.52
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 90642834) is 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(Cc2nc(-c3ccsc3)no2)C1.

What is the InChIKey of 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?

The InChIKey is SLDVYXZPGJXRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S2/c1-11-16(12(2)20-19-11)27(23,24)22-6-3-4-13(9-22)8-15-18-17(21-25-15)14-5-7-26-10-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3,(H,19,20).

What are the key properties of 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?

5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 407.52 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 90642834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).