5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione

C22H21N3O5S — CID 10365915

About 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10365915) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 10365915
• Molecular Formula: C22H21N3O5S
• Molecular Weight: 439.49 g/mol
• Exact Mass: 439.12
• IUPAC Name: 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1ccc(-c2nc(C(O)COc3ccc(CC4SC(=O)NC4=O)nc3)c(C)o2)cc1
• InChI: InChI=1S/C22H21N3O5S/c1-12-3-5-14(6-4-12)21-24-19(13(2)30-21)17(26)11-29-16-8-7-15(23-10-16)9-18-20(27)25-22(28)31-18/h3-8,10,17-18,26H,9,11H2,1-2H3,(H,25,27,28)
• InChIKey: DIRLMEMGWIWYGP-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 114.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.49
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10365915) is 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1ccc(-c2nc(C(O)COc3ccc(CC4SC(=O)NC4=O)nc3)c(C)o2)cc1.

What is the InChIKey of 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is DIRLMEMGWIWYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-12-3-5-14(6-4-12)21-24-19(13(2)30-21)17(26)11-29-16-8-7-15(23-10-16)9-18-20(27)25-22(28)31-18/h3-8,10,17-18,26H,9,11H2,1-2H3,(H,25,27,28).

What are the key properties of 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?

5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 439.49 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10365915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).