2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one

C15H12N2O4S — CID 22349939

IUPAC2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one
SMILESCS(=O)(=O)c1ccc(-n2oc(=O)cc2-c2ccncc2)cc1
InChIInChI=1S/C15H12N2O4S/c1-22(19,20)13-4-2-12(3-5-13)17-14(10-15(18)21-17)11-6-8-16-9-7-11/h2-10H,1H3
InChIKeyIOYOBJCYSNTLPO-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.90
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one

2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one (PubChem CID 22349939) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one
PubChem CID22349939
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one
SMILESCS(=O)(=O)c1ccc(-n2oc(=O)cc2-c2ccncc2)cc1
InChIInChI=1S/C15H12N2O4S/c1-22(19,20)13-4-2-12(3-5-13)17-14(10-15(18)21-17)11-6-8-16-9-7-11/h2-10H,1H3
InChIKeyIOYOBJCYSNTLPO-UHFFFAOYSA-N
XLogP1.90
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one (CID 22349939) is 2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one is CS(=O)(=O)c1ccc(-n2oc(=O)cc2-c2ccncc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one?
The InChIKey is IOYOBJCYSNTLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-22(19,20)13-4-2-12(3-5-13)17-14(10-15(18)21-17)11-6-8-16-9-7-11/h2-10H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one?
2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one has a molecular weight of 316.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-one is sourced from PubChem (CID 22349939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).