3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole

C5H8N2O3S — CID 131114260

IUPAC3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCc1noc(CS(C)(=O)=O)n1
InChIInChI=1S/C5H8N2O3S/c1-4-6-5(10-7-4)3-11(2,8)9/h3H2,1-2H3
InChIKeyVFQJYHBNKWPSSC-UHFFFAOYSA-N
MW176.20 g/mol
LogP-0.08
Rot. Bonds2

About 3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole

3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 131114260) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is 3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID131114260
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCc1noc(CS(C)(=O)=O)n1
InChIInChI=1S/C5H8N2O3S/c1-4-6-5(10-7-4)3-11(2,8)9/h3H2,1-2H3
InChIKeyVFQJYHBNKWPSSC-UHFFFAOYSA-N
XLogP-0.08
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096225
N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 113435589
3-methyl-5-[(3-methylphenyl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 47206585
3-methyl-5-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole
CID 126804224
2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61013517
2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64670875
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
1,2-dimethyl-4-(methylsulfonylmethyl)imidazole
CID 117191419
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82916377
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
3-(3,4-dimethoxyphenyl)-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47206961
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide
CID 106423734

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole (CID 131114260) is 3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole is Cc1noc(CS(C)(=O)=O)n1.
What is the InChIKey of 3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is VFQJYHBNKWPSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-4-6-5(10-7-4)3-11(2,8)9/h3H2,1-2H3.
What are the key properties of 3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole?
3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 176.20 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 131114260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).