1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C18H19N5O5S — CID 16861405

About 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 16861405) has the molecular formula C18H19N5O5S and a molecular weight of 417.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 16861405
• Molecular Formula: C18H19N5O5S
• Molecular Weight: 417.45 g/mol
• Exact Mass: 417.11
• IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccno4)o3)CC2)cc1
• InChI: InChI=1S/C18H19N5O5S/c1-12-2-4-14(5-3-12)29(25,26)23-10-7-13(8-11-23)16(24)20-18-22-21-17(27-18)15-6-9-19-28-15/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,22,24)
• InChIKey: SATGIGVDRPEAEG-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 131.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.45
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 16861405) is 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccno4)o3)CC2)cc1.

What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is SATGIGVDRPEAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5S/c1-12-2-4-14(5-3-12)29(25,26)23-10-7-13(8-11-23)16(24)20-18-22-21-17(27-18)15-6-9-19-28-15/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,22,24).

What are the key properties of 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 417.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16861405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).