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

C24H30ClF2N5O4S — CID 67041221

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2,2-difluoro-3-methoxypropoxy)-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-methoxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (PubChem CID 67041221) has the molecular formula C24H30ClF2N5O4S and a molecular weight of 558.05 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2,2-difluoro-3-methoxypropoxy)-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-methoxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
• PubChem CID: 67041221
• Molecular Formula: C24H30ClF2N5O4S
• Molecular Weight: 558.05 g/mol
• Exact Mass: 557.17
• IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2,2-difluoro-3-methoxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
• SMILES: COCC(F)(F)COc1cc(C(=O)NC2CCN(C(C)C)CC2)n(Cc2cc(-c3ccc(Cl)s3)on2)n1
• InChI: InChI=1S/C24H30ClF2N5O4S/c1-15(2)31-8-6-16(7-9-31)28-23(33)18-11-22(35-14-24(26,27)13-34-3)29-32(18)12-17-10-19(36-30-17)20-4-5-21(25)37-20/h4-5,10-11,15-16H,6-9,12-14H2,1-3H3,(H,28,33)
• InChIKey: RWVJSGWRJYETJA-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 94.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.05
LogP ≤ 5	4.56
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-(2,2-difluoro-3-methoxypropoxy)-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-methoxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (CID 67041221) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2,2-difluoro-3-methoxypropoxy)-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-methoxypropoxy)-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-methoxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is COCC(F)(F)COc1cc(C(=O)NC2CCN(C(C)C)CC2)n(Cc2cc(-c3ccc(Cl)s3)on2)n1.

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

The InChIKey is RWVJSGWRJYETJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClF2N5O4S/c1-15(2)31-8-6-16(7-9-31)28-23(33)18-11-22(35-14-24(26,27)13-34-3)29-32(18)12-17-10-19(36-30-17)20-4-5-21(25)37-20/h4-5,10-11,15-16H,6-9,12-14H2,1-3H3,(H,28,33).

What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(2,2-difluoro-3-methoxypropoxy)-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-methoxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide has a molecular weight of 558.05 g/mol, XLogP of 4.56, 11 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-(2,2-difluoro-3-methoxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 67041221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).