1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione

C18H15F3N4O4 — CID 71784114

About 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 71784114) has the molecular formula C18H15F3N4O4 and a molecular weight of 408.34 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione
• PubChem CID: 71784114
• Molecular Formula: C18H15F3N4O4
• Molecular Weight: 408.34 g/mol
• Exact Mass: 408.10
• IUPAC Name: 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione
• SMILES: O=C(CN1C(=O)CCC1=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1
• InChI: InChI=1S/C18H15F3N4O4/c19-18(20,21)12-3-1-2-10(6-12)16-22-17(29-23-16)11-7-24(8-11)15(28)9-25-13(26)4-5-14(25)27/h1-3,6,11H,4-5,7-9H2
• InChIKey: AJWRBTFSTZVJIQ-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 96.61 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.34
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 71784114) is 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1.

What is the InChIKey of 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The InChIKey is AJWRBTFSTZVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4/c19-18(20,21)12-3-1-2-10(6-12)16-22-17(29-23-16)11-7-24(8-11)15(28)9-25-13(26)4-5-14(25)27/h1-3,6,11H,4-5,7-9H2.

What are the key properties of 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione?

1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 408.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71784114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).