N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C23H21N3O2S — CID 24596759

About N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 24596759) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
• PubChem CID: 24596759
• Molecular Formula: C23H21N3O2S
• Molecular Weight: 403.51 g/mol
• Exact Mass: 403.14
• IUPAC Name: N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
• SMILES: Cc1ccc(Cc2cnc(NC(=O)CCc3ncc(-c4ccccc4)o3)s2)cc1
• InChI: InChI=1S/C23H21N3O2S/c1-16-7-9-17(10-8-16)13-19-14-25-23(29-19)26-21(27)11-12-22-24-15-20(28-22)18-5-3-2-4-6-18/h2-10,14-15H,11-13H2,1H3,(H,25,26,27)
• InChIKey: ORULCOHFAPFVBN-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.51
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 24596759) is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

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

The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is Cc1ccc(Cc2cnc(NC(=O)CCc3ncc(-c4ccccc4)o3)s2)cc1.

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

The InChIKey is ORULCOHFAPFVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16-7-9-17(10-8-16)13-19-14-25-23(29-19)26-21(27)11-12-22-24-15-20(28-22)18-5-3-2-4-6-18/h2-10,14-15H,11-13H2,1H3,(H,25,26,27).

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

N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 403.51 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 24596759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).