3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H18ClF2N3O4S — CID 60516165

About 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 60516165) has the molecular formula C20H18ClF2N3O4S and a molecular weight of 469.90 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 60516165
• Molecular Formula: C20H18ClF2N3O4S
• Molecular Weight: 469.90 g/mol
• Exact Mass: 469.07
• IUPAC Name: 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCS(=O)(=O)NCc1ccc(F)cc1
• InChI: InChI=1S/C20H18ClF2N3O4S/c1-12-17(19(26-30-12)18-15(21)3-2-4-16(18)23)20(27)24-9-10-31(28,29)25-11-13-5-7-14(22)8-6-13/h2-8,25H,9-11H2,1H3,(H,24,27)
• InChIKey: MRWSTKUYDPAZFA-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 101.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.90
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 60516165) is 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCS(=O)(=O)NCc1ccc(F)cc1.

What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is MRWSTKUYDPAZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O4S/c1-12-17(19(26-30-12)18-15(21)3-2-4-16(18)23)20(27)24-9-10-31(28,29)25-11-13-5-7-14(22)8-6-13/h2-8,25H,9-11H2,1H3,(H,24,27).

What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?

3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 469.90 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60516165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).