N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide

C21H22N4O3S — CID 55809719

About N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 55809719) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
• PubChem CID: 55809719
• Molecular Formula: C21H22N4O3S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.14
• IUPAC Name: N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)C2CCN(C(=O)c3nc(-c4cccs4)oc3C)CC2)nc1
• InChI: InChI=1S/C21H22N4O3S/c1-13-5-6-17(22-12-13)23-19(26)15-7-9-25(10-8-15)21(27)18-14(2)28-20(24-18)16-4-3-11-29-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,23,26)
• InChIKey: JLBCNQDSACFCTQ-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide (CID 55809719) is N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3nc(-c4cccs4)oc3C)CC2)nc1.

What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?

The InChIKey is JLBCNQDSACFCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-13-5-6-17(22-12-13)23-19(26)15-7-9-25(10-8-15)21(27)18-14(2)28-20(24-18)16-4-3-11-29-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,23,26).

What are the key properties of N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?

N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55809719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).