2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid

C11H10N2O6S — CID 167809217

IUPAC2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(OCc2nc(C(=O)O)co2)cc1
InChIInChI=1S/C11H10N2O6S/c12-20(16,17)8-3-1-7(2-4-8)18-6-10-13-9(5-19-10)11(14)15/h1-5H,6H2,(H,14,15)(H2,12,16,17)
InChIKeyBZWNBWGZDALFNT-UHFFFAOYSA-N
MW298.28 g/mol
LogP0.60
Rot. Bonds5

About 2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid

2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 167809217) has the molecular formula C11H10N2O6S and a molecular weight of 298.28 g/mol. Its IUPAC name is 2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID167809217
Molecular FormulaC11H10N2O6S
Molecular Weight298.28 g/mol
Exact Mass298.03
IUPAC Name2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(OCc2nc(C(=O)O)co2)cc1
InChIInChI=1S/C11H10N2O6S/c12-20(16,17)8-3-1-7(2-4-8)18-6-10-13-9(5-19-10)11(14)15/h1-5H,6H2,(H,14,15)(H2,12,16,17)
InChIKeyBZWNBWGZDALFNT-UHFFFAOYSA-N
XLogP0.60
TPSA132.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 95469386
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56708039
2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid
CID 167862946
4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701723
5-sulfamoylpyridine-2-carboxylic acid
CID 57336589
3-[4-[2-[4-[(4-carbamoyl-1,3-oxazol-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylcarbamic acid
CID 174238950
N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 72881785
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 42415544
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522

Frequently Asked Questions

What is the IUPAC name of 2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid (CID 167809217) is 2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid is NS(=O)(=O)c1ccc(OCc2nc(C(=O)O)co2)cc1.
What is the InChIKey of 2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is BZWNBWGZDALFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6S/c12-20(16,17)8-3-1-7(2-4-8)18-6-10-13-9(5-19-10)11(14)15/h1-5H,6H2,(H,14,15)(H2,12,16,17).
What are the key properties of 2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 298.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 167809217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).