3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide

C16H23N5O4S — CID 46969423

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCCS(=O)(=O)N2CCCCC2)on1
InChIInChI=1S/C16H23N5O4S/c1-12-13(11-20(2)18-12)14-10-15(25-19-14)16(22)17-6-9-26(23,24)21-7-4-3-5-8-21/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyPCZDWOVBQGDOMU-UHFFFAOYSA-N
MW381.46 g/mol
LogP0.93
Rot. Bonds6

About 3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide

3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 46969423) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide
PubChem CID46969423
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCCS(=O)(=O)N2CCCCC2)on1
InChIInChI=1S/C16H23N5O4S/c1-12-13(11-20(2)18-12)14-10-15(25-19-14)16(22)17-6-9-26(23,24)21-7-4-3-5-8-21/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyPCZDWOVBQGDOMU-UHFFFAOYSA-N
XLogP0.93
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide (CID 46969423) is 3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)NCCS(=O)(=O)N2CCCCC2)on1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is PCZDWOVBQGDOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-12-13(11-20(2)18-12)14-10-15(25-19-14)16(22)17-6-9-26(23,24)21-7-4-3-5-8-21/h10-11H,3-9H2,1-2H3,(H,17,22).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide?
3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46969423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).