4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid

C12H12N2O5S — CID 43362452

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)Cc2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C12H12N2O5S/c1-8-6-11(13-19-8)14-20(17,18)7-9-2-4-10(5-3-9)12(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyPSKGRLVQFCFLQL-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.62
Rot. Bonds5

About 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid

4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid (PubChem CID 43362452) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid
PubChem CID43362452
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)Cc2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C12H12N2O5S/c1-8-6-11(13-19-8)14-20(17,18)7-9-2-4-10(5-3-9)12(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyPSKGRLVQFCFLQL-UHFFFAOYSA-N
XLogP1.62
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic 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

3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 81471487
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345058
4-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]benzoic acid
CID 60828347
4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid
CID 106370360
(2S)-2-[(4-fluorophenyl)methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51711263
2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide
CID 53255442
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 86794026
N-(5-methyl-1,2-oxazol-3-yl)butane-1-sulfonamide
CID 6465435
4-(prop-2-enylsulfamoylmethyl)benzoic acid
CID 43362558
(2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 39991942
N-benzyl-N-methyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109060736
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]-3-phenylbenzamide
CID 110345109

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid (CID 43362452) is 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid is Cc1cc(NS(=O)(=O)Cc2ccc(C(=O)O)cc2)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid?
The InChIKey is PSKGRLVQFCFLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-8-6-11(13-19-8)14-20(17,18)7-9-2-4-10(5-3-9)12(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid?
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid has a molecular weight of 296.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid is sourced from PubChem (CID 43362452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).