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

C22H27N5O4S — CID 55600209

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 55600209) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
• PubChem CID: 55600209
• Molecular Formula: C22H27N5O4S
• Molecular Weight: 457.56 g/mol
• Exact Mass: 457.18
• IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
• SMILES: Cc1cccc(Cn2nccc2NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1
• InChI: InChI=1S/C22H27N5O4S/c1-15-6-4-7-18(12-15)13-27-20(9-10-23-27)24-22(28)19-8-5-11-26(14-19)32(29,30)21-16(2)25-31-17(21)3/h4,6-7,9-10,12,19H,5,8,11,13-14H2,1-3H3,(H,24,28)
• InChIKey: HYVBDTVOEPWMKI-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 110.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.56
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide (CID 55600209) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide is Cc1cccc(Cn2nccc2NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1.

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

The InChIKey is HYVBDTVOEPWMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-15-6-4-7-18(12-15)13-27-20(9-10-23-27)24-22(28)19-8-5-11-26(14-19)32(29,30)21-16(2)25-31-17(21)3/h4,6-7,9-10,12,19H,5,8,11,13-14H2,1-3H3,(H,24,28).

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 55600209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).