[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

C24H26ClN5O3S2 — CID 68809191

IUPAC[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)N1CCC(NC(=O)Oc2cc(-c3cccs3)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1
InChIInChI=1S/C24H26ClN5O3S2/c1-15(2)29-9-7-16(8-10-29)26-24(31)32-23-13-18(20-4-3-11-34-20)30(27-23)14-17-12-19(33-28-17)21-5-6-22(25)35-21/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,26,31)
InChIKeyAHEDUOHGWUNBOL-UHFFFAOYSA-N
MW532.09 g/mol
LogP5.99
Rot. Bonds7

About [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 68809191) has the molecular formula C24H26ClN5O3S2 and a molecular weight of 532.09 g/mol. Its IUPAC name is [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
PubChem CID68809191
Molecular FormulaC24H26ClN5O3S2
Molecular Weight532.09 g/mol
Exact Mass531.12
IUPAC Name[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)N1CCC(NC(=O)Oc2cc(-c3cccs3)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1
InChIInChI=1S/C24H26ClN5O3S2/c1-15(2)29-9-7-16(8-10-29)26-24(31)32-23-13-18(20-4-3-11-34-20)30(27-23)14-17-12-19(33-28-17)21-5-6-22(25)35-21/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,26,31)
InChIKeyAHEDUOHGWUNBOL-UHFFFAOYSA-N
XLogP5.99
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.09
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 91322746
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]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide
CID 10099301
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide
CID 10483704
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-[3-(difluoromethoxy)-2,2-difluoropropoxy]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 67040967
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(2,2-difluoro-3-hydroxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 67041166
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide
CID 67041196
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(2,2-difluoro-3-methoxypropoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 67041221
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(difluoromethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 67041318
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 68807543
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 68807557
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(4,4-difluoropiperidine-1-carbonyl)pyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 68807887

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The IUPAC name of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (CID 68809191) is [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The canonical SMILES for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is CC(C)N1CCC(NC(=O)Oc2cc(-c3cccs3)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1.
What is the InChIKey of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
The InChIKey is AHEDUOHGWUNBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3S2/c1-15(2)29-9-7-16(8-10-29)26-24(31)32-23-13-18(20-4-3-11-34-20)30(27-23)14-17-12-19(33-28-17)21-5-6-22(25)35-21/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,26,31).
What are the key properties of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate has a molecular weight of 532.09 g/mol, XLogP of 5.99, 7 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]-5-thiophen-2-ylpyrazol-3-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 68809191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).