N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide

C22H20N4O2S — CID 134032590

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide (PubChem CID 134032590) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide
• PubChem CID: 134032590
• Molecular Formula: C22H20N4O2S
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.13
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide
• SMILES: Cc1cc(NC(=O)C(Nc2ccc(-c3csc(C)n3)cc2)c2ccccc2)no1
• InChI: InChI=1S/C22H20N4O2S/c1-14-12-20(26-28-14)25-22(27)21(17-6-4-3-5-7-17)24-18-10-8-16(9-11-18)19-13-29-15(2)23-19/h3-13,21,24H,1-2H3,(H,25,26,27)
• InChIKey: XVWVKTCRKGMXEF-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.50
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide (CID 134032590) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide is Cc1cc(NC(=O)C(Nc2ccc(-c3csc(C)n3)cc2)c2ccccc2)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide?

The InChIKey is XVWVKTCRKGMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-14-12-20(26-28-14)25-22(27)21(17-6-4-3-5-7-17)24-18-10-8-16(9-11-18)19-13-29-15(2)23-19/h3-13,21,24H,1-2H3,(H,25,26,27).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide has a molecular weight of 404.50 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide is sourced from PubChem (CID 134032590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).