4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione

C26H28N2O5 — CID 18546152

About 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione

4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione (PubChem CID 18546152) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

• Compound Name: 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
• PubChem CID: 18546152
• Molecular Formula: C26H28N2O5
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.20
• IUPAC Name: 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCCCCC2NC(=O)OC2=O)cc1
• InChI: InChI=1S/C26H28N2O5/c1-18-22(27-24(32-18)20-9-5-3-6-10-20)16-17-31-21-14-12-19(13-15-21)8-4-2-7-11-23-25(29)33-26(30)28-23/h3,5-6,9-10,12-15,23H,2,4,7-8,11,16-17H2,1H3,(H,28,30)
• InChIKey: ZIOCWROIUTXHAP-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione?

The IUPAC name of 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione (CID 18546152) is 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione.

What is the SMILES notation for 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione?

The canonical SMILES for 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCCCCC2NC(=O)OC2=O)cc1.

What is the InChIKey of 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione?

The InChIKey is ZIOCWROIUTXHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-18-22(27-24(32-18)20-9-5-3-6-10-20)16-17-31-21-14-12-19(13-15-21)8-4-2-7-11-23-25(29)33-26(30)28-23/h3,5-6,9-10,12-15,23H,2,4,7-8,11,16-17H2,1H3,(H,28,30).

What are the key properties of 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione?

4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 448.52 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 18546152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).