5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid

C22H24N2O5S — CID 11611667

About 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid

5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid (PubChem CID 11611667) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid.

Molecular Properties

• Compound Name: 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid
• PubChem CID: 11611667
• Molecular Formula: C22H24N2O5S
• Molecular Weight: 428.51 g/mol
• Exact Mass: 428.14
• IUPAC Name: 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid
• SMILES: Cc1oc(-c2ccccc2)nc1CCNS(=O)(=O)c1ccc(C(C)C)c(C(=O)O)c1
• InChI: InChI=1S/C22H24N2O5S/c1-14(2)18-10-9-17(13-19(18)22(25)26)30(27,28)23-12-11-20-15(3)29-21(24-20)16-7-5-4-6-8-16/h4-10,13-14,23H,11-12H2,1-3H3,(H,25,26)
• InChIKey: NYCDBKNVPDSFRE-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 109.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.51
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid?

The IUPAC name of 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid (CID 11611667) is 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid.

What is the SMILES notation for 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid?

The canonical SMILES for 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid is Cc1oc(-c2ccccc2)nc1CCNS(=O)(=O)c1ccc(C(C)C)c(C(=O)O)c1.

What is the InChIKey of 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid?

The InChIKey is NYCDBKNVPDSFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-14(2)18-10-9-17(13-19(18)22(25)26)30(27,28)23-12-11-20-15(3)29-21(24-20)16-7-5-4-6-8-16/h4-10,13-14,23H,11-12H2,1-3H3,(H,25,26).

What are the key properties of 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid?

5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid has a molecular weight of 428.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid is sourced from PubChem (CID 11611667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).