4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid

C11H10N2O5S — CID 110719035

IUPAC4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2cocn2)cc1
InChIInChI=1S/C11H10N2O5S/c14-11(15)8-1-3-10(4-2-8)19(16,17)13-5-9-6-18-7-12-9/h1-4,6-7,13H,5H2,(H,14,15)
InChIKeyVEMGOEXAUMVSNW-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.85
Rot. Bonds5

About 4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid

4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid (PubChem CID 110719035) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid
PubChem CID110719035
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2cocn2)cc1
InChIInChI=1S/C11H10N2O5S/c14-11(15)8-1-3-10(4-2-8)19(16,17)13-5-9-6-18-7-12-9/h1-4,6-7,13H,5H2,(H,14,15)
InChIKeyVEMGOEXAUMVSNW-UHFFFAOYSA-N
XLogP0.85
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid (CID 110719035) is 4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NCc2cocn2)cc1.
What is the InChIKey of 4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid?
The InChIKey is VEMGOEXAUMVSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c14-11(15)8-1-3-10(4-2-8)19(16,17)13-5-9-6-18-7-12-9/h1-4,6-7,13H,5H2,(H,14,15).
What are the key properties of 4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid?
4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid has a molecular weight of 282.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 110719035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).