5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride

C8H8ClN3O3S — CID 17024794

IUPAC5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride
SMILESCc1nn(C)cc1-c1oncc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClN3O3S/c1-5-6(4-12(2)11-5)8-7(3-10-15-8)16(9,13)14/h3-4H,1-2H3
InChIKeyABJPLTWVTQPJMI-UHFFFAOYSA-N
MW261.69 g/mol
LogP1.31
Rot. Bonds2

About 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride

5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride (PubChem CID 17024794) has the molecular formula C8H8ClN3O3S and a molecular weight of 261.69 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride
PubChem CID17024794
Molecular FormulaC8H8ClN3O3S
Molecular Weight261.69 g/mol
Exact Mass261.00
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride
SMILESCc1nn(C)cc1-c1oncc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClN3O3S/c1-5-6(4-12(2)11-5)8-7(3-10-15-8)16(9,13)14/h3-4H,1-2H3
InChIKeyABJPLTWVTQPJMI-UHFFFAOYSA-N
XLogP1.31
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 19916034
5-(1,5-dimethyl-1H-pyrazol-4-yl)isoxazole
CID 7016452
5-(1,3-Dimethyl-1H-pyrazol-4-YL)isoxazole
CID 19583686
5-(1,3-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-4-sulfonyl fluoride
CID 165840426
3,5-dimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
CID 19916030
5-(1-Ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazole
CID 65240027
3-Methyl-5-(1-methylpyrazol-4-yl)-1,2-oxazole
CID 68019169
5-(1,3-Dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole
CID 118929891
5-(1,5-Dimethylpyrazol-4-yl)-3-methylsulfanyl-1,2-oxazole
CID 123772422
3-(1,3-Dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride
CID 161148219
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 25582164
3,5-dimethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-4-sulfonamide
CID 38944510

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride (CID 17024794) is 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride is Cc1nn(C)cc1-c1oncc1S(=O)(=O)Cl.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride?
The InChIKey is ABJPLTWVTQPJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3S/c1-5-6(4-12(2)11-5)8-7(3-10-15-8)16(9,13)14/h3-4H,1-2H3.
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride?
5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride has a molecular weight of 261.69 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride is sourced from PubChem (CID 17024794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).