[4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride

C12H12ClNO3S — CID 165481098

IUPAC[4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCc1ccc(-c2onc(CS(=O)(=O)Cl)c2C)cc1
InChIInChI=1S/C12H12ClNO3S/c1-8-3-5-10(6-4-8)12-9(2)11(14-17-12)7-18(13,15)16/h3-6H,7H2,1-2H3
InChIKeyLNERDFOJDSVWCG-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.03
Rot. Bonds3

About [4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride

[4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride (PubChem CID 165481098) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is [4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
PubChem CID165481098
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name[4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
SMILESCc1ccc(-c2onc(CS(=O)(=O)Cl)c2C)cc1
InChIInChI=1S/C12H12ClNO3S/c1-8-3-5-10(6-4-8)12-9(2)11(14-17-12)7-18(13,15)16/h3-6H,7H2,1-2H3
InChIKeyLNERDFOJDSVWCG-UHFFFAOYSA-N
XLogP3.03
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride (CID 165481098) is [4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride is Cc1ccc(-c2onc(CS(=O)(=O)Cl)c2C)cc1.
What is the InChIKey of [4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
The InChIKey is LNERDFOJDSVWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-8-3-5-10(6-4-8)12-9(2)11(14-17-12)7-18(13,15)16/h3-6H,7H2,1-2H3.
What are the key properties of [4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride?
[4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride has a molecular weight of 285.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(4-methylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 165481098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).