4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide

C20H24N6O4S — CID 56554719

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 56554719) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide
• PubChem CID: 56554719
• Molecular Formula: C20H24N6O4S
• Molecular Weight: 444.52 g/mol
• Exact Mass: 444.16
• IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide
• SMILES: Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Nc2cccc(-n3nccc3C)c2)CC1
• InChI: InChI=1S/C20H24N6O4S/c1-14-7-8-21-26(14)18-6-4-5-17(13-18)22-20(27)24-9-11-25(12-10-24)31(28,29)19-15(2)23-30-16(19)3/h4-8,13H,9-12H2,1-3H3,(H,22,27)
• InChIKey: QIKLROGUKQMXKR-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 113.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.52
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide?

The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide (CID 56554719) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide?

The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Nc2cccc(-n3nccc3C)c2)CC1.

What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide?

The InChIKey is QIKLROGUKQMXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c1-14-7-8-21-26(14)18-6-4-5-17(13-18)22-20(27)24-9-11-25(12-10-24)31(28,29)19-15(2)23-30-16(19)3/h4-8,13H,9-12H2,1-3H3,(H,22,27).

What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide?

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 56554719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).