5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole

C17H17ClN4O3S — CID 136766064

IUPAC5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cn[nH]c2C2CCCN2S(=O)(=O)c2ccccc2Cl)on1
InChIInChI=1S/C17H17ClN4O3S/c1-11-9-15(25-21-11)12-10-19-20-17(12)14-6-4-8-22(14)26(23,24)16-7-3-2-5-13(16)18/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,20)
InChIKeyUFCSSLBHXMHFRJ-UHFFFAOYSA-N
MW392.87 g/mol
LogP3.55
Rot. Bonds4

About 5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole

5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole (PubChem CID 136766064) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is 5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
PubChem CID136766064
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC Name5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cn[nH]c2C2CCCN2S(=O)(=O)c2ccccc2Cl)on1
InChIInChI=1S/C17H17ClN4O3S/c1-11-9-15(25-21-11)12-10-19-20-17(12)14-6-4-8-22(14)26(23,24)16-7-3-2-5-13(16)18/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,20)
InChIKeyUFCSSLBHXMHFRJ-UHFFFAOYSA-N
XLogP3.55
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole (CID 136766064) is 5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2cn[nH]c2C2CCCN2S(=O)(=O)c2ccccc2Cl)on1.
What is the InChIKey of 5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole?
The InChIKey is UFCSSLBHXMHFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c1-11-9-15(25-21-11)12-10-19-20-17(12)14-6-4-8-22(14)26(23,24)16-7-3-2-5-13(16)18/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,20).
What are the key properties of 5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole?
5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole has a molecular weight of 392.87 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 136766064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).