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

C23H28ClF2N5O4S — CID 67041166

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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2,2-difluoro-3-hydroxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (PubChem CID 67041166) has the molecular formula C23H28ClF2N5O4S and a molecular weight of 544.02 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2,2-difluoro-3-hydroxypropoxy)-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-(2,2-difluoro-3-hydroxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
• PubChem CID: 67041166
• Molecular Formula: C23H28ClF2N5O4S
• Molecular Weight: 544.02 g/mol
• Exact Mass: 543.15
• IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2,2-difluoro-3-hydroxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
• SMILES: CC(C)N1CCC(NC(=O)c2cc(OCC(F)(F)CO)nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1
• InChI: InChI=1S/C23H28ClF2N5O4S/c1-14(2)30-7-5-15(6-8-30)27-22(33)17-10-21(34-13-23(25,26)12-32)28-31(17)11-16-9-18(35-29-16)19-3-4-20(24)36-19/h3-4,9-10,14-15,32H,5-8,11-13H2,1-2H3,(H,27,33)
• InChIKey: LFAWGCUQDFVMER-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 105.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.02
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
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-(2,2-difluoro-3-hydroxypropoxy)-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-(2,2-difluoro-3-hydroxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (CID 67041166) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2,2-difluoro-3-hydroxypropoxy)-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-(2,2-difluoro-3-hydroxypropoxy)-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-(2,2-difluoro-3-hydroxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is CC(C)N1CCC(NC(=O)c2cc(OCC(F)(F)CO)nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1.

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

The InChIKey is LFAWGCUQDFVMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClF2N5O4S/c1-14(2)30-7-5-15(6-8-30)27-22(33)17-10-21(34-13-23(25,26)12-32)28-31(17)11-16-9-18(35-29-16)19-3-4-20(24)36-19/h3-4,9-10,14-15,32H,5-8,11-13H2,1-2H3,(H,27,33).

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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2,2-difluoro-3-hydroxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide has a molecular weight of 544.02 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 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-(2,2-difluoro-3-hydroxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 67041166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).