3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

C19H25FN4O4S — CID 53133909

About 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53133909) has the molecular formula C19H25FN4O4S and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 53133909
• Molecular Formula: C19H25FN4O4S
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.16
• IUPAC Name: 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC1CCN(CCNC(=O)c2nc(CCS(=O)(=O)c3ccc(F)cc3)no2)CC1
• InChI: InChI=1S/C19H25FN4O4S/c1-14-6-10-24(11-7-14)12-9-21-18(25)19-22-17(23-28-19)8-13-29(26,27)16-4-2-15(20)3-5-16/h2-5,14H,6-13H2,1H3,(H,21,25)
• InChIKey: LEWRMVFUWOZQKB-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 53133909) is 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCN(CCNC(=O)c2nc(CCS(=O)(=O)c3ccc(F)cc3)no2)CC1.

What is the InChIKey of 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is LEWRMVFUWOZQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O4S/c1-14-6-10-24(11-7-14)12-9-21-18(25)19-22-17(23-28-19)8-13-29(26,27)16-4-2-15(20)3-5-16/h2-5,14H,6-13H2,1H3,(H,21,25).

What are the key properties of 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide?

3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-fluorophenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53133909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).