5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid

C13H14N2O5S — CID 65486231

IUPAC5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1C(=O)O
InChIInChI=1S/C13H14N2O5S/c1-7-4-5-10(6-11(7)13(16)17)21(18,19)15-12-8(2)9(3)14-20-12/h4-6,15H,1-3H3,(H,16,17)
InChIKeyXQPRJVRCBZQKGT-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.10
Rot. Bonds4

About 5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid

5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid (PubChem CID 65486231) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid
PubChem CID65486231
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1C(=O)O
InChIInChI=1S/C13H14N2O5S/c1-7-4-5-10(6-11(7)13(16)17)21(18,19)15-12-8(2)9(3)14-20-12/h4-6,15H,1-3H3,(H,16,17)
InChIKeyXQPRJVRCBZQKGT-UHFFFAOYSA-N
XLogP2.10
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzenesulfonamide
CID 65487179
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
2-methyl-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 79042866
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluorobenzenesulfonamide
CID 82844498
bis(4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide);2-(2-hydroxyethylamino)ethanol
CID 66830855
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19683718
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 3765964
4-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 14973488
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 18617399
3-chloro-4-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 115698046
4-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 65488716

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid (CID 65486231) is 5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid is Cc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1C(=O)O.
What is the InChIKey of 5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid?
The InChIKey is XQPRJVRCBZQKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-7-4-5-10(6-11(7)13(16)17)21(18,19)15-12-8(2)9(3)14-20-12/h4-6,15H,1-3H3,(H,16,17).
What are the key properties of 5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid?
5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid has a molecular weight of 310.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 65486231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).