1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C22H24N4O3S — CID 55818716

About 1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55818716) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 55818716
• Molecular Formula: C22H24N4O3S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.16
• IUPAC Name: 1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1nccs1)C1CCCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1
• InChI: InChI=1S/C22H24N4O3S/c27-20(10-4-9-19-24-14-18(29-19)16-6-2-1-3-7-16)26-12-5-8-17(15-26)21(28)25-22-23-11-13-30-22/h1-3,6-7,11,13-14,17H,4-5,8-10,12,15H2,(H,23,25,28)
• InChIKey: JRKYWUXLKJKZNF-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55818716) is 1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1.

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

The InChIKey is JRKYWUXLKJKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c27-20(10-4-9-19-24-14-18(29-19)16-6-2-1-3-7-16)26-12-5-8-17(15-26)21(28)25-22-23-11-13-30-22/h1-3,6-7,11,13-14,17H,4-5,8-10,12,15H2,(H,23,25,28).

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

1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55818716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).