[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate

C20H20N4O6S — CID 25049000

About [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate

[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate (PubChem CID 25049000) has the molecular formula C20H20N4O6S and a molecular weight of 444.47 g/mol. Its IUPAC name is [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate
• PubChem CID: 25049000
• Molecular Formula: C20H20N4O6S
• Molecular Weight: 444.47 g/mol
• Exact Mass: 444.11
• IUPAC Name: [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate
• SMILES: CCC(OC(=O)c1ccncc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
• InChI: InChI=1S/C20H20N4O6S/c1-3-17(29-20(26)14-8-10-21-11-9-14)19(25)22-15-4-6-16(7-5-15)31(27,28)24-18-12-13(2)30-23-18/h4-12,17H,3H2,1-2H3,(H,22,25)(H,23,24)
• InChIKey: XZJISGZOEIOALW-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 140.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.47
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate?

The IUPAC name of [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate (CID 25049000) is [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate.

What is the SMILES notation for [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate?

The canonical SMILES for [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate is CCC(OC(=O)c1ccncc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.

What is the InChIKey of [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate?

The InChIKey is XZJISGZOEIOALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6S/c1-3-17(29-20(26)14-8-10-21-11-9-14)19(25)22-15-4-6-16(7-5-15)31(27,28)24-18-12-13(2)30-23-18/h4-12,17H,3H2,1-2H3,(H,22,25)(H,23,24).

What are the key properties of [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate?

[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate has a molecular weight of 444.47 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] pyridine-4-carboxylate is sourced from PubChem (CID 25049000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).