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

C21H24ClF2N5O3S — CID 67041318

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(OC(F)F)nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C21H24ClF2N5O3S/c1-12(2)28-7-5-13(6-8-28)25-20(30)15-10-19(31-21(23)24)26-29(15)11-14-9-16(32-27-14)17-3-4-18(22)33-17/h3-4,9-10,12-13,21H,5-8,11H2,1-2H3,(H,25,30)
InChIKeyFWJWVALILXRDBT-UHFFFAOYSA-N
MW499.97 g/mol
LogP4.51
Rot. Bonds8

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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (PubChem CID 67041318) has the molecular formula C21H24ClF2N5O3S and a molecular weight of 499.97 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
PubChem CID67041318
Molecular FormulaC21H24ClF2N5O3S
Molecular Weight499.97 g/mol
Exact Mass499.13
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(OC(F)F)nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C21H24ClF2N5O3S/c1-12(2)28-7-5-13(6-8-28)25-20(30)15-10-19(31-21(23)24)26-29(15)11-14-9-16(32-27-14)17-3-4-18(22)33-17/h3-4,9-10,12-13,21H,5-8,11H2,1-2H3,(H,25,30)
InChIKeyFWJWVALILXRDBT-UHFFFAOYSA-N
XLogP4.51
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.97
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(difluoromethoxy)-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-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (CID 67041318) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(difluoromethoxy)-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-(difluoromethoxy)-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-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is CC(C)N1CCC(NC(=O)c2cc(OC(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-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
The InChIKey is FWJWVALILXRDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF2N5O3S/c1-12(2)28-7-5-13(6-8-28)25-20(30)15-10-19(31-21(23)24)26-29(15)11-14-9-16(32-27-14)17-3-4-18(22)33-17/h3-4,9-10,12-13,21H,5-8,11H2,1-2H3,(H,25,30).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide has a molecular weight of 499.97 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 67041318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).