3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one

C17H15NO4S — CID 10758721

IUPAC3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one
SMILESCc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)coc2=O)cc1
InChIInChI=1S/C17H15NO4S/c1-12-3-7-14(8-4-12)18-16(11-22-17(18)19)13-5-9-15(10-6-13)23(2,20)21/h3-11H,1-2H3
InChIKeyROWUKXFOSRSTCP-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.81
Rot. Bonds3

About 3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one

3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one (PubChem CID 10758721) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one
PubChem CID10758721
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one
SMILESCc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)coc2=O)cc1
InChIInChI=1S/C17H15NO4S/c1-12-3-7-14(8-4-12)18-16(11-22-17(18)19)13-5-9-15(10-6-13)23(2,20)21/h3-11H,1-2H3
InChIKeyROWUKXFOSRSTCP-UHFFFAOYSA-N
XLogP2.81
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 9905676
3-(4-Chloro-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 9928340
3-(4-Ethyl-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 9949984
4-(2-Oxo-3-p-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10544389
4-(2-Oxo-3-m-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10711484
4-(5-Methyl-2-oxo-3-m-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10831290
4-[3-(4-Fluoro-phenyl)-5-methyl-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 10831559
3-(2-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 10688075
4-[3-(2-Fluoro-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 9797752
4-(2-Oxo-3-phenyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 9818359
4-[3-(4-Fluoro-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 9884096
4-(2-Oxo-3-o-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10336743

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one?
The IUPAC name of 3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one (CID 10758721) is 3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one.
What is the SMILES notation for 3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one?
The canonical SMILES for 3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one is Cc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)coc2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one?
The InChIKey is ROWUKXFOSRSTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-12-3-7-14(8-4-12)18-16(11-22-17(18)19)13-5-9-15(10-6-13)23(2,20)21/h3-11H,1-2H3.
What are the key properties of 3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one?
3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one has a molecular weight of 329.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one is sourced from PubChem (CID 10758721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).