2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid

C11H10N2O5S — CID 113377106

IUPAC2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Nc2nc(C(=O)O)co2)cc1
InChIInChI=1S/C11H10N2O5S/c1-19(16,17)8-4-2-7(3-5-8)12-11-13-9(6-18-11)10(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyQOVVTACGPGSXLH-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.52
Rot. Bonds4

About 2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid

2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid (PubChem CID 113377106) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid
PubChem CID113377106
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Nc2nc(C(=O)O)co2)cc1
InChIInChI=1S/C11H10N2O5S/c1-19(16,17)8-4-2-7(3-5-8)12-11-13-9(6-18-11)10(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyQOVVTACGPGSXLH-UHFFFAOYSA-N
XLogP1.52
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid
CID 107588927
2-[3-(methanesulfonamido)propylamino]-1,3-oxazole-4-carboxylic acid
CID 106339812
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
2-(2-methylsulfanylanilino)-1,3-oxazole-4-carboxylic acid
CID 107645137
2-amino-5-(4-methylsulfonylanilino)benzoic acid
CID 60989498
3-(4-methylsulfonylanilino)benzoic acid
CID 43453294
3-fluoro-2-(4-methylsulfonylanilino)pyridine-4-carboxylic acid
CID 105381849
methyl 2-(4-methylsulfonylanilino)-1,3-thiazole-4-carboxylate
CID 115423211
2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid
CID 106339929
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylanilino)benzoic acid
CID 90375881
(2S)-N-methylsulfonyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
CID 45111225
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
CID 77089426

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid (CID 113377106) is 2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid is CS(=O)(=O)c1ccc(Nc2nc(C(=O)O)co2)cc1.
What is the InChIKey of 2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid?
The InChIKey is QOVVTACGPGSXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-19(16,17)8-4-2-7(3-5-8)12-11-13-9(6-18-11)10(14)15/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid?
2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 113377106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).