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

C25H24N2O5 — CID 67620458

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

5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione (PubChem CID 67620458) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 67620458
• Molecular Formula: C25H24N2O5
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.17
• IUPAC Name: 5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione
• SMILES: CC(=CCC1OC(=O)NC1=O)c1cccc(OCCc2nc(-c3ccccc3)oc2C)c1
• InChI: InChI=1S/C25H24N2O5/c1-16(11-12-22-23(28)27-25(29)32-22)19-9-6-10-20(15-19)30-14-13-21-17(2)31-24(26-21)18-7-4-3-5-8-18/h3-11,15,22H,12-14H2,1-2H3,(H,27,28,29)
• InChIKey: UVWOLJAZRBAHMZ-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione (CID 67620458) is 5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione.

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

The canonical SMILES for 5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione is CC(=CCC1OC(=O)NC1=O)c1cccc(OCCc2nc(-c3ccccc3)oc2C)c1.

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

The InChIKey is UVWOLJAZRBAHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-16(11-12-22-23(28)27-25(29)32-22)19-9-6-10-20(15-19)30-14-13-21-17(2)31-24(26-21)18-7-4-3-5-8-18/h3-11,15,22H,12-14H2,1-2H3,(H,27,28,29).

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

5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 432.48 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 67620458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).