3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid

C11H10N2O5S — CID 117453436

IUPAC3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc(-c2cc(C(=O)O)on2)cc1
InChIInChI=1S/C11H10N2O5S/c1-19(16,17)13-8-4-2-7(3-5-8)9-6-10(11(14)15)18-12-9/h2-6,13H,1H3,(H,14,15)
InChIKeyZYUQBDWMYSLQAH-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.41
Rot. Bonds4

About 3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid

3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117453436) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117453436
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc(-c2cc(C(=O)O)on2)cc1
InChIInChI=1S/C11H10N2O5S/c1-19(16,17)13-8-4-2-7(3-5-8)9-6-10(11(14)15)18-12-9/h2-6,13H,1H3,(H,14,15)
InChIKeyZYUQBDWMYSLQAH-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-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117453435
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117385137
3-(3-iodo-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 67517083
3-(4-methoxy-3-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117478784
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117477482
3-[4-(3-fluoropropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117375396
3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117430746
3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
CID 59438307
3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112585

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117453436) is 3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid is CS(=O)(=O)Nc1ccc(-c2cc(C(=O)O)on2)cc1.
What is the InChIKey of 3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZYUQBDWMYSLQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-19(16,17)13-8-4-2-7(3-5-8)9-6-10(11(14)15)18-12-9/h2-6,13H,1H3,(H,14,15).
What are the key properties of 3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[4-(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-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117453436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).