1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide

C24H28ClF4N5O4S — CID 67040967

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (PubChem CID 67040967) has the molecular formula C24H28ClF4N5O4S and a molecular weight of 594.03 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
• PubChem CID: 67040967
• Molecular Formula: C24H28ClF4N5O4S
• Molecular Weight: 594.03 g/mol
• Exact Mass: 593.15
• IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
• SMILES: CC(C)N1CCC(NC(=O)c2cc(OCC(F)(F)COC(F)F)nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1
• InChI: InChI=1S/C24H28ClF4N5O4S/c1-14(2)33-7-5-15(6-8-33)30-22(35)17-10-21(36-12-24(28,29)13-37-23(26)27)31-34(17)11-16-9-18(38-32-16)19-3-4-20(25)39-19/h3-4,9-10,14-15,23H,5-8,11-13H2,1-2H3,(H,30,35)
• InChIKey: KPJNDOVMSGJRFJ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 94.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.03
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?

The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (CID 67040967) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide.

What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?

The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is CC(C)N1CCC(NC(=O)c2cc(OCC(F)(F)COC(F)F)nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1.

What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?

The InChIKey is KPJNDOVMSGJRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF4N5O4S/c1-14(2)33-7-5-15(6-8-33)30-22(35)17-10-21(36-12-24(28,29)13-37-23(26)27)31-34(17)11-16-9-18(38-32-16)19-3-4-20(25)39-19/h3-4,9-10,14-15,23H,5-8,11-13H2,1-2H3,(H,30,35).

What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide has a molecular weight of 594.03 g/mol, XLogP of 5.16, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 67040967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).