2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione

C18H12FN3O4 — CID 27039673

IUPAC2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C18H12FN3O4/c19-12-7-5-11(6-8-12)15-20-22(18(25)26-15)10-9-21-16(23)13-3-1-2-4-14(13)17(21)24/h1-8H,9-10H2
InChIKeyAEPFTJGCIORCEQ-UHFFFAOYSA-N
MW353.31 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione

2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 27039673) has the molecular formula C18H12FN3O4 and a molecular weight of 353.31 g/mol. Its IUPAC name is 2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione
PubChem CID27039673
Molecular FormulaC18H12FN3O4
Molecular Weight353.31 g/mol
Exact Mass353.08
IUPAC Name2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C18H12FN3O4/c19-12-7-5-11(6-8-12)15-20-22(18(25)26-15)10-9-21-16(23)13-3-1-2-4-14(13)17(21)24/h1-8H,9-10H2
InChIKeyAEPFTJGCIORCEQ-UHFFFAOYSA-N
XLogP1.94
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione (CID 27039673) is 2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of 2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is AEPFTJGCIORCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O4/c19-12-7-5-11(6-8-12)15-20-22(18(25)26-15)10-9-21-16(23)13-3-1-2-4-14(13)17(21)24/h1-8H,9-10H2.
What are the key properties of 2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione?
2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 353.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 27039673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).