3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid

C11H10N2O5S — CID 117453435

IUPAC3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCS(=O)(=O)Nc1ccccc1-c1cc(C(=O)O)on1
InChIInChI=1S/C11H10N2O5S/c1-19(16,17)13-8-5-3-2-4-7(8)9-6-10(11(14)15)18-12-9/h2-6,13H,1H3,(H,14,15)
InChIKeyFCJSXLQIPJTEKV-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.41
Rot. Bonds4

About 3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid

3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117453435) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117453435
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCS(=O)(=O)Nc1ccccc1-c1cc(C(=O)O)on1
InChIInChI=1S/C11H10N2O5S/c1-19(16,17)13-8-5-3-2-4-7(8)9-6-10(11(14)15)18-12-9/h2-6,13H,1H3,(H,14,15)
InChIKeyFCJSXLQIPJTEKV-UHFFFAOYSA-N
XLogP1.41
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117453436
3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-(2-bromo-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452915
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975
3-[2-(4-methyltriazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117428609
6-[2-(methanesulfonamido)phenyl]pyridine-3-sulfonic acid
CID 87212310
3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117333924
3-isoquinolin-4-yl-1,2-oxazole-5-carboxylic acid
CID 104504438
3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117482134
3-[2-(3-oxopyrazolidin-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117435286
3-(2-methyl-1,3-benzoxazol-7-yl)-1,2-oxazole-5-carboxylic acid
CID 117361903
3-[2-(oxan-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117435490

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117453435) is 3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid is CS(=O)(=O)Nc1ccccc1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is FCJSXLQIPJTEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-19(16,17)13-8-5-3-2-4-7(8)9-6-10(11(14)15)18-12-9/h2-6,13H,1H3,(H,14,15).
What are the key properties of 3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117453435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).