3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione

C11H8BrN3O4 — CID 154786154

IUPAC3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2nc(-c3ccc(Br)o3)no2)C(=O)N1
InChIInChI=1S/C11H8BrN3O4/c12-7-2-1-6(18-7)10-14-9(19-15-10)4-5-3-8(16)13-11(5)17/h1-2,5H,3-4H2,(H,13,16,17)
InChIKeyAWNMXYAGDLWFCL-UHFFFAOYSA-N
MW326.11 g/mol
LogP1.30
Rot. Bonds3

About 3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione

3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 154786154) has the molecular formula C11H8BrN3O4 and a molecular weight of 326.11 g/mol. Its IUPAC name is 3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione
PubChem CID154786154
Molecular FormulaC11H8BrN3O4
Molecular Weight326.11 g/mol
Exact Mass324.97
IUPAC Name3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2nc(-c3ccc(Br)o3)no2)C(=O)N1
InChIInChI=1S/C11H8BrN3O4/c12-7-2-1-6(18-7)10-14-9(19-15-10)4-5-3-8(16)13-11(5)17/h1-2,5H,3-4H2,(H,13,16,17)
InChIKeyAWNMXYAGDLWFCL-UHFFFAOYSA-N
XLogP1.30
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 51.30
H-Bond Donors ≤ 51
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 3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione (CID 154786154) is 3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione is O=C1CC(Cc2nc(-c3ccc(Br)o3)no2)C(=O)N1.
What is the InChIKey of 3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is AWNMXYAGDLWFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O4/c12-7-2-1-6(18-7)10-14-9(19-15-10)4-5-3-8(16)13-11(5)17/h1-2,5H,3-4H2,(H,13,16,17).
What are the key properties of 3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione?
3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 326.11 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 154786154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).