1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C19H19FN4O4 — CID 121069465

About 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 121069465) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
• PubChem CID: 121069465
• Molecular Formula: C19H19FN4O4
• Molecular Weight: 386.38 g/mol
• Exact Mass: 386.14
• IUPAC Name: 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
• SMILES: O=C(CN1C(=O)CCC1=O)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1
• InChI: InChI=1S/C19H19FN4O4/c20-14-5-3-12(4-6-14)18-21-22-19(28-18)13-2-1-9-23(10-13)17(27)11-24-15(25)7-8-16(24)26/h3-6,13H,1-2,7-11H2
• InChIKey: WYKARSCSMGZRCD-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 96.61 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.38
LogP ≤ 5	1.73
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-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 121069465) is 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1.

What is the InChIKey of 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The InChIKey is WYKARSCSMGZRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c20-14-5-3-12(4-6-14)18-21-22-19(28-18)13-2-1-9-23(10-13)17(27)11-24-15(25)7-8-16(24)26/h3-6,13H,1-2,7-11H2.

What are the key properties of 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 386.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 121069465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).