1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C22H23ClN4O3S — CID 55951770

About 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55951770) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 55951770
• Molecular Formula: C22H23ClN4O3S
• Molecular Weight: 458.97 g/mol
• Exact Mass: 458.12
• IUPAC Name: 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• SMILES: Cc1csc(NC(=O)C2CCN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC2)n1
• InChI: InChI=1S/C22H23ClN4O3S/c1-14-13-31-22(25-14)26-21(29)15-8-10-27(11-9-15)20(28)7-6-19-24-12-18(30-19)16-4-2-3-5-17(16)23/h2-5,12-13,15H,6-11H2,1H3,(H,25,26,29)
• InChIKey: JLDYWDHKOOYMTH-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.97
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55951770) is 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC2)n1.

What is the InChIKey of 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is JLDYWDHKOOYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-14-13-31-22(25-14)26-21(29)15-8-10-27(11-9-15)20(28)7-6-19-24-12-18(30-19)16-4-2-3-5-17(16)23/h2-5,12-13,15H,6-11H2,1H3,(H,25,26,29).

What are the key properties of 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 458.97 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55951770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).