3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole

C8H4BrFN2O — CID 141077057

IUPAC3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1cc(Br)cc(-c2ncon2)c1
InChIInChI=1S/C8H4BrFN2O/c9-6-1-5(2-7(10)3-6)8-11-4-13-12-8/h1-4H
InChIKeyQGPYJSKKZBCQSJ-UHFFFAOYSA-N
MW243.03 g/mol
LogP2.64
Rot. Bonds1

About 3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole

3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 141077057) has the molecular formula C8H4BrFN2O and a molecular weight of 243.03 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole
PubChem CID141077057
Molecular FormulaC8H4BrFN2O
Molecular Weight243.03 g/mol
Exact Mass241.95
IUPAC Name3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1cc(Br)cc(-c2ncon2)c1
InChIInChI=1S/C8H4BrFN2O/c9-6-1-5(2-7(10)3-6)8-11-4-13-12-8/h1-4H
InChIKeyQGPYJSKKZBCQSJ-UHFFFAOYSA-N
XLogP2.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole (CID 141077057) is 3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole is Fc1cc(Br)cc(-c2ncon2)c1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is QGPYJSKKZBCQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O/c9-6-1-5(2-7(10)3-6)8-11-4-13-12-8/h1-4H.
What are the key properties of 3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole?
3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 243.03 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 141077057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).