2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid

C11H11N3O5S — CID 81178457

IUPAC2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(NCc2ccon2)c(C(=O)O)c1
InChIInChI=1S/C11H11N3O5S/c12-20(17,18)8-1-2-10(9(5-8)11(15)16)13-6-7-3-4-19-14-7/h1-5,13H,6H2,(H,15,16)(H2,12,17,18)
InChIKeyJHFZEMKDXKTKMP-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.63
Rot. Bonds5

About 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid

2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid (PubChem CID 81178457) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid
PubChem CID81178457
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(NCc2ccon2)c(C(=O)O)c1
InChIInChI=1S/C11H11N3O5S/c12-20(17,18)8-1-2-10(9(5-8)11(15)16)13-6-7-3-4-19-14-7/h1-5,13H,6H2,(H,15,16)(H2,12,17,18)
InChIKeyJHFZEMKDXKTKMP-UHFFFAOYSA-N
XLogP0.63
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81177559
2-(prop-2-enylamino)-5-sulfamoylbenzoic acid
CID 43088442
4-amino-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81170408
2-[(4-propan-2-ylthiophen-2-yl)methylamino]-5-sulfamoylbenzoic acid
CID 54552550
2-amino-4-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 104500809
2-[(4-butylthiophen-2-yl)methylamino]-5-sulfamoylbenzoic acid
CID 54072413
2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
CID 43235564
2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid
CID 113463888
5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid
CID 43322707
2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176902
4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900736
2-hydroxy-4-methyl-5-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176901

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid?
The IUPAC name of 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid (CID 81178457) is 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid is NS(=O)(=O)c1ccc(NCc2ccon2)c(C(=O)O)c1.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid?
The InChIKey is JHFZEMKDXKTKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c12-20(17,18)8-1-2-10(9(5-8)11(15)16)13-6-7-3-4-19-14-7/h1-5,13H,6H2,(H,15,16)(H2,12,17,18).
What are the key properties of 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid?
2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid has a molecular weight of 297.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid is sourced from PubChem (CID 81178457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).