5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

C21H16ClN3O4S — CID 24608242

About 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 24608242) has the molecular formula C21H16ClN3O4S and a molecular weight of 441.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 24608242
• Molecular Formula: C21H16ClN3O4S
• Molecular Weight: 441.90 g/mol
• Exact Mass: 441.06
• IUPAC Name: 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(OC)c(-c2csc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)n2)c1
• InChI: InChI=1S/C21H16ClN3O4S/c1-27-14-7-8-18(28-2)15(9-14)17-11-30-21(23-17)24-20(26)16-10-19(29-25-16)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H,23,24,26)
• InChIKey: FFTRHIZMEOKXMP-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.90
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 24608242) is 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)n2)c1.

What is the InChIKey of 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is FFTRHIZMEOKXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4S/c1-27-14-7-8-18(28-2)15(9-14)17-11-30-21(23-17)24-20(26)16-10-19(29-25-16)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H,23,24,26).

What are the key properties of 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?

5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 441.90 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24608242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).