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

C21H20F2N4O3S — CID 55959264

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

1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55959264) has the molecular formula C21H20F2N4O3S and a molecular weight of 446.48 g/mol. Its IUPAC name is 1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 55959264
• Molecular Formula: C21H20F2N4O3S
• Molecular Weight: 446.48 g/mol
• Exact Mass: 446.12
• IUPAC Name: 1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1nccs1)C1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1
• InChI: InChI=1S/C21H20F2N4O3S/c22-14-3-4-15(16(23)10-14)17-11-25-18(30-17)5-6-19(28)27-8-1-2-13(12-27)20(29)26-21-24-7-9-31-21/h3-4,7,9-11,13H,1-2,5-6,8,12H2,(H,24,26,29)
• InChIKey: VJXJELUESFMIBZ-UHFFFAOYSA-N
• XLogP: 3.89
• 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	446.48
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55959264) is 1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1.

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

The InChIKey is VJXJELUESFMIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3S/c22-14-3-4-15(16(23)10-14)17-11-25-18(30-17)5-6-19(28)27-8-1-2-13(12-27)20(29)26-21-24-7-9-31-21/h3-4,7,9-11,13H,1-2,5-6,8,12H2,(H,24,26,29).

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

1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55959264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).