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

C20H24ClN5O2S — CID 91322746

IUPAC2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccnn2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C20H24ClN5O2S/c1-13(2)25-9-6-14(7-10-25)23-20(27)16-5-8-22-26(16)12-15-11-17(28-24-15)18-3-4-19(21)29-18/h3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3,(H,23,27)
InChIKeyYFJDHVGZJKUARO-UHFFFAOYSA-N
MW433.97 g/mol
LogP3.90
Rot. Bonds6

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

2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide (PubChem CID 91322746) has the molecular formula C20H24ClN5O2S and a molecular weight of 433.97 g/mol. Its IUPAC name is 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
PubChem CID91322746
Molecular FormulaC20H24ClN5O2S
Molecular Weight433.97 g/mol
Exact Mass433.13
IUPAC Name2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccnn2Cc2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C20H24ClN5O2S/c1-13(2)25-9-6-14(7-10-25)23-20(27)16-5-8-22-26(16)12-15-11-17(28-24-15)18-3-4-19(21)29-18/h3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3,(H,23,27)
InChIKeyYFJDHVGZJKUARO-UHFFFAOYSA-N
XLogP3.90
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.97
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide (CID 91322746) is 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide is CC(C)N1CCC(NC(=O)c2ccnn2Cc2cc(-c3ccc(Cl)s3)on2)CC1.
What is the InChIKey of 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is YFJDHVGZJKUARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2S/c1-13(2)25-9-6-14(7-10-25)23-20(27)16-5-8-22-26(16)12-15-11-17(28-24-15)18-3-4-19(21)29-18/h3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3,(H,23,27).
What are the key properties of 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide?
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 433.97 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 91322746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).