[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate

C21H19N5O6S — CID 25038089

About [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate

[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate (PubChem CID 25038089) has the molecular formula C21H19N5O6S and a molecular weight of 469.48 g/mol. Its IUPAC name is [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate.

Molecular Properties

• Compound Name: [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate
• PubChem CID: 25038089
• Molecular Formula: C21H19N5O6S
• Molecular Weight: 469.48 g/mol
• Exact Mass: 469.11
• IUPAC Name: [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate
• SMILES: Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)OC(=O)c3ccc4nc[nH]c4c3)cc2)no1
• InChI: InChI=1S/C21H19N5O6S/c1-12-9-19(25-32-12)26-33(29,30)16-6-4-15(5-7-16)24-20(27)13(2)31-21(28)14-3-8-17-18(10-14)23-11-22-17/h3-11,13H,1-2H3,(H,22,23)(H,24,27)(H,25,26)
• InChIKey: CFWPFDBJKXGCEO-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 156.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.48
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
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-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate?

The IUPAC name of [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate (CID 25038089) is [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate.

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

The canonical SMILES for [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)OC(=O)c3ccc4nc[nH]c4c3)cc2)no1.

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

The InChIKey is CFWPFDBJKXGCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O6S/c1-12-9-19(25-32-12)26-33(29,30)16-6-4-15(5-7-16)24-20(27)13(2)31-21(28)14-3-8-17-18(10-14)23-11-22-17/h3-11,13H,1-2H3,(H,22,23)(H,24,27)(H,25,26).

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

[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate has a molecular weight of 469.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 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-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 25038089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).