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

C8H8ClN3O3S — CID 161148219

IUPAC3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride
SMILESCc1nn(C)cc1-c1nocc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClN3O3S/c1-5-6(3-12(2)10-5)8-7(4-15-11-8)16(9,13)14/h3-4H,1-2H3
InChIKeyUOIITVULRIKJSO-UHFFFAOYSA-N
MW261.69 g/mol
LogP1.31
Rot. Bonds2

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

3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride (PubChem CID 161148219) has the molecular formula C8H8ClN3O3S and a molecular weight of 261.69 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride
PubChem CID161148219
Molecular FormulaC8H8ClN3O3S
Molecular Weight261.69 g/mol
Exact Mass261.00
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride
SMILESCc1nn(C)cc1-c1nocc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClN3O3S/c1-5-6(3-12(2)10-5)8-7(4-15-11-8)16(9,13)14/h3-4H,1-2H3
InChIKeyUOIITVULRIKJSO-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

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Related Compounds

5-(1,3-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-4-sulfonyl fluoride
CID 165840426
5-(1,3-Dimethyl-1h-pyrazol-4-yl)isoxazole-4-sulfonyl chloride
CID 17024794
3-(1,5-Dimethylpyrazol-4-yl)-1,2-oxazole
CID 139378859
4-(1-Ethyl-4-methylpyrazol-5-yl)-3-methyl-1,2-oxazole
CID 163535094
3-(1,3-Dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine
CID 102801821
3-(1,3-Dimethylpyrazol-4-yl)-4-ethyl-1,2-oxazol-5-amine
CID 102801824
3-(1,3-Dimethylpyrazol-4-yl)-1,2-oxazole
CID 114763653
5-(1,3-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-4-sulfonamide
CID 165899364

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride (CID 161148219) is 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride is Cc1nn(C)cc1-c1nocc1S(=O)(=O)Cl.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride?
The InChIKey is UOIITVULRIKJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3S/c1-5-6(3-12(2)10-5)8-7(4-15-11-8)16(9,13)14/h3-4H,1-2H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride?
3-(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 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride is sourced from PubChem (CID 161148219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).