5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole

C9H10N2O3S — CID 71713998

IUPAC5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole
SMILESCS(=O)(=O)C1CC(c2ccccn2)=NO1
InChIInChI=1S/C9H10N2O3S/c1-15(12,13)9-6-8(11-14-9)7-4-2-3-5-10-7/h2-5,9H,6H2,1H3
InChIKeyJCXXTSCKUDXUFX-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.58
Rot. Bonds2

About 5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole

5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 71713998) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID71713998
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole
SMILESCS(=O)(=O)C1CC(c2ccccn2)=NO1
InChIInChI=1S/C9H10N2O3S/c1-15(12,13)9-6-8(11-14-9)7-4-2-3-5-10-7/h2-5,9H,6H2,1H3
InChIKeyJCXXTSCKUDXUFX-UHFFFAOYSA-N
XLogP0.58
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078862
methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 89070674
N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 42815629
2-(2H-azirin-3-yl)pyridine
CID 123655147
2-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyridine
CID 58175901
N-[(Z)-but-1-enyl]-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-en-1-imine;methylphosphane
CID 143032047
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole (CID 71713998) is 5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole is CS(=O)(=O)C1CC(c2ccccn2)=NO1.
What is the InChIKey of 5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is JCXXTSCKUDXUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-15(12,13)9-6-8(11-14-9)7-4-2-3-5-10-7/h2-5,9H,6H2,1H3.
What are the key properties of 5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole?
5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 226.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-3-pyridin-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71713998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).