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

C23H21N5O6S — CID 25045892

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

[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate (PubChem CID 25045892) has the molecular formula C23H21N5O6S and a molecular weight of 495.52 g/mol. Its IUPAC name is [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

• Compound Name: [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
• PubChem CID: 25045892
• Molecular Formula: C23H21N5O6S
• Molecular Weight: 495.52 g/mol
• Exact Mass: 495.12
• IUPAC Name: [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
• SMILES: Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)OC(=O)c3ccc(-c4ncc[nH]4)cc3)cc2)no1
• InChI: InChI=1S/C23H21N5O6S/c1-14-13-20(27-34-14)28-35(31,32)19-9-7-18(8-10-19)26-22(29)15(2)33-23(30)17-5-3-16(4-6-17)21-24-11-12-25-21/h3-13,15H,1-2H3,(H,24,25)(H,26,29)(H,27,28)
• InChIKey: RWZIOZKCMLWJBD-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 156.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.52
LogP ≤ 5	3.36
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] 4-(1H-imidazol-2-yl)benzoate?

The IUPAC name of [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate (CID 25045892) is [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate.

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

The canonical SMILES for [1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)OC(=O)c3ccc(-c4ncc[nH]4)cc3)cc2)no1.

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

The InChIKey is RWZIOZKCMLWJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O6S/c1-14-13-20(27-34-14)28-35(31,32)19-9-7-18(8-10-19)26-22(29)15(2)33-23(30)17-5-3-16(4-6-17)21-24-11-12-25-21/h3-13,15H,1-2H3,(H,24,25)(H,26,29)(H,27,28).

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

[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 495.52 g/mol, XLogP of 3.36, 8 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] 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 25045892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).