5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid

C14H17N3O5S — CID 154740829

IUPAC5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid
SMILESCCc1noc(CC)c1CNS(=O)(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H17N3O5S/c1-3-11-10(13(4-2)22-17-11)8-16-23(20,21)9-5-6-12(14(18)19)15-7-9/h5-7,16H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyDYJVNWAYLVRNPW-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.37
Rot. Bonds7

About 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid

5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid (PubChem CID 154740829) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid
PubChem CID154740829
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid
SMILESCCc1noc(CC)c1CNS(=O)(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H17N3O5S/c1-3-11-10(13(4-2)22-17-11)8-16-23(20,21)9-5-6-12(14(18)19)15-7-9/h5-7,16H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyDYJVNWAYLVRNPW-UHFFFAOYSA-N
XLogP1.37
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid (CID 154740829) is 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid is CCc1noc(CC)c1CNS(=O)(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid?
The InChIKey is DYJVNWAYLVRNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-3-11-10(13(4-2)22-17-11)8-16-23(20,21)9-5-6-12(14(18)19)15-7-9/h5-7,16H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid?
5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethyl-1,2-oxazol-4-yl)methylsulfamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 154740829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).