5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride

C12H12ClNO3S — CID 53212007

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H12ClNO3S/c1-7-4-5-10(6-11(7)18(13,15)16)12-8(2)9(3)14-17-12/h4-6H,1-3H3
InChIKeyNJWZBBIHQHKWTH-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.19
Rot. Bonds2

About 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride

5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride (PubChem CID 53212007) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
PubChem CID53212007
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H12ClNO3S/c1-7-4-5-10(6-11(7)18(13,15)16)12-8(2)9(3)14-17-12/h4-6H,1-3H3
InChIKeyNJWZBBIHQHKWTH-UHFFFAOYSA-N
XLogP3.19
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride (CID 53212007) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride is Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride?
The InChIKey is NJWZBBIHQHKWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-7-4-5-10(6-11(7)18(13,15)16)12-8(2)9(3)14-17-12/h4-6H,1-3H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride has a molecular weight of 285.75 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 53212007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).