3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide

C19H23N5O4S2 — CID 92595368

IUPAC3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCc1c(S(=O)(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)cnn1C
InChIInChI=1S/C19H23N5O4S2/c1-13-18(12-21-23(13)2)30(26,27)24-7-5-14(6-8-24)16-10-17(28-22-16)19(25)20-11-15-4-3-9-29-15/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,20,25)
InChIKeyZAJQKRGZWLWJIT-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.28
Rot. Bonds6

About 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide

3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 92595368) has the molecular formula C19H23N5O4S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID92595368
Molecular FormulaC19H23N5O4S2
Molecular Weight449.56 g/mol
Exact Mass449.12
IUPAC Name3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCc1c(S(=O)(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)cnn1C
InChIInChI=1S/C19H23N5O4S2/c1-13-18(12-21-23(13)2)30(26,27)24-7-5-14(6-8-24)16-10-17(28-22-16)19(25)20-11-15-4-3-9-29-15/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,20,25)
InChIKeyZAJQKRGZWLWJIT-UHFFFAOYSA-N
XLogP2.28
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 92595368) is 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide is Cc1c(S(=O)(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)cnn1C.
What is the InChIKey of 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZAJQKRGZWLWJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S2/c1-13-18(12-21-23(13)2)30(26,27)24-7-5-14(6-8-24)16-10-17(28-22-16)19(25)20-11-15-4-3-9-29-15/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,20,25).
What are the key properties of 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92595368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).