3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride

C5H6ClNO3S — CID 2736319

IUPAC3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride
SMILESCc1noc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C5H6ClNO3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3
InChIKeyGZLPFEYTAAXJCP-UHFFFAOYSA-N
MW195.63 g/mol
LogP1.22
Rot. Bonds1

About 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride

3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride (PubChem CID 2736319) has the molecular formula C5H6ClNO3S and a molecular weight of 195.63 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride
PubChem CID2736319
Molecular FormulaC5H6ClNO3S
Molecular Weight195.63 g/mol
Exact Mass194.98
IUPAC Name3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride
SMILESCc1noc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C5H6ClNO3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3
InChIKeyGZLPFEYTAAXJCP-UHFFFAOYSA-N
XLogP1.22
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.63
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride?
The IUPAC name of 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride (CID 2736319) is 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride.
What is the SMILES notation for 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride?
The canonical SMILES for 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride is Cc1noc(C)c1S(=O)(=O)Cl.
What is the InChIKey of 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride?
The InChIKey is GZLPFEYTAAXJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3.
What are the key properties of 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride?
3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride has a molecular weight of 195.63 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride is sourced from PubChem (CID 2736319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).