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

C21H16ClN3O3S — CID 99811303

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

5-(2-chlorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 99811303) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(2-chlorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 99811303
• Molecular Formula: C21H16ClN3O3S
• Molecular Weight: 425.90 g/mol
• Exact Mass: 425.06
• IUPAC Name: 5-(2-chlorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
• SMILES: COc1ccc(C)cc1-c1csc(NC(=O)c2ncoc2-c2ccccc2Cl)n1
• InChI: InChI=1S/C21H16ClN3O3S/c1-12-7-8-17(27-2)14(9-12)16-10-29-21(24-16)25-20(26)18-19(28-11-23-18)13-5-3-4-6-15(13)22/h3-11H,1-2H3,(H,24,25,26)
• InChIKey: IZAUMTSEQJVVDS-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.90
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(2-chlorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide (CID 99811303) is 5-(2-chlorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for 5-(2-chlorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide is COc1ccc(C)cc1-c1csc(NC(=O)c2ncoc2-c2ccccc2Cl)n1.

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

The InChIKey is IZAUMTSEQJVVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-12-7-8-17(27-2)14(9-12)16-10-29-21(24-16)25-20(26)18-19(28-11-23-18)13-5-3-4-6-15(13)22/h3-11H,1-2H3,(H,24,25,26).

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

5-(2-chlorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 425.90 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chlorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99811303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).