4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole

C16H13NO3S — CID 91434450

IUPAC4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
SMILESCS(=O)(=O)c1ccc(-c2conc2-c2ccccc2)cc1
InChIInChI=1S/C16H13NO3S/c1-21(18,19)14-9-7-12(8-10-14)15-11-20-17-16(15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyXLBMLRQJUSWBRY-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.41
Rot. Bonds3

About 4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole

4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole (PubChem CID 91434450) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
PubChem CID91434450
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
SMILESCS(=O)(=O)c1ccc(-c2conc2-c2ccccc2)cc1
InChIInChI=1S/C16H13NO3S/c1-21(18,19)14-9-7-12(8-10-14)15-11-20-17-16(15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyXLBMLRQJUSWBRY-UHFFFAOYSA-N
XLogP3.41
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
The IUPAC name of 4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole (CID 91434450) is 4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole is CS(=O)(=O)c1ccc(-c2conc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
The InChIKey is XLBMLRQJUSWBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-21(18,19)14-9-7-12(8-10-14)15-11-20-17-16(15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole?
4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole has a molecular weight of 299.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole is sourced from PubChem (CID 91434450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).