3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole

C12H6BrFN2O2 — CID 1259900

IUPAC3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C12H6BrFN2O2/c13-10-6-5-9(17-10)11-15-12(18-16-11)7-3-1-2-4-8(7)14/h1-6H
InChIKeyXVPMGLODKHSQKU-UHFFFAOYSA-N
MW309.09 g/mol
LogP3.90
Rot. Bonds2

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

3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 1259900) has the molecular formula C12H6BrFN2O2 and a molecular weight of 309.09 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID1259900
Molecular FormulaC12H6BrFN2O2
Molecular Weight309.09 g/mol
Exact Mass307.96
IUPAC Name3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C12H6BrFN2O2/c13-10-6-5-9(17-10)11-15-12(18-16-11)7-3-1-2-4-8(7)14/h1-6H
InChIKeyXVPMGLODKHSQKU-UHFFFAOYSA-N
XLogP3.90
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole (CID 1259900) is 3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole is Fc1ccccc1-c1nc(-c2ccc(Br)o2)no1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is XVPMGLODKHSQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2O2/c13-10-6-5-9(17-10)11-15-12(18-16-11)7-3-1-2-4-8(7)14/h1-6H.
What are the key properties of 3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 309.09 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1259900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).