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

C21H23ClF3N5O2S — CID 10368747

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)nc2C(F)(F)F)CC1
InChIInChI=1S/C21H23ClF3N5O2S/c1-12(2)29-7-5-13(6-8-29)26-20(31)15-11-30(27-19(15)21(23,24)25)10-14-9-16(32-28-14)17-3-4-18(22)33-17/h3-4,9,11-13H,5-8,10H2,1-2H3,(H,26,31)
InChIKeyBYQPTZFMJUFDIB-UHFFFAOYSA-N
MW501.96 g/mol
LogP4.92
Rot. Bonds6

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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 10368747) has the molecular formula C21H23ClF3N5O2S and a molecular weight of 501.96 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID10368747
Molecular FormulaC21H23ClF3N5O2S
Molecular Weight501.96 g/mol
Exact Mass501.12
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)nc2C(F)(F)F)CC1
InChIInChI=1S/C21H23ClF3N5O2S/c1-12(2)29-7-5-13(6-8-29)26-20(31)15-11-30(27-19(15)21(23,24)25)10-14-9-16(32-28-14)17-3-4-18(22)33-17/h3-4,9,11-13H,5-8,10H2,1-2H3,(H,26,31)
InChIKeyBYQPTZFMJUFDIB-UHFFFAOYSA-N
XLogP4.92
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.96
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indazole-3-carboxamide
CID 11283099
1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-yl methyl]-1H-pyrrole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
CID 11487307
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 91322746
N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3238148
3-(2-chlorothiophen-3-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580094
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indazole-3-carboxamide
CID 168271325
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 168286183
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-3-carboxamide
CID 149702610
[2-(Pyrazol-1-ylmethyl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 53627424
N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 156248249
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(4,4-difluoropiperidine-1-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 10031156
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide
CID 10099301

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 10368747) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)N1CCC(NC(=O)c2cn(Cc3cc(-c4ccc(Cl)s4)on3)nc2C(F)(F)F)CC1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BYQPTZFMJUFDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N5O2S/c1-12(2)29-7-5-13(6-8-29)26-20(31)15-11-30(27-19(15)21(23,24)25)10-14-9-16(32-28-14)17-3-4-18(22)33-17/h3-4,9,11-13H,5-8,10H2,1-2H3,(H,26,31).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 501.96 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 10368747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).