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

C8H3BrClFN2O — CID 112571851

IUPAC5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
SMILESFc1ccc(Br)c(-c2nc(Cl)no2)c1
InChIInChI=1S/C8H3BrClFN2O/c9-6-2-1-4(11)3-5(6)7-12-8(10)13-14-7/h1-3H
InChIKeyFJURLLZCBLPLDG-UHFFFAOYSA-N
MW277.48 g/mol
LogP3.29
Rot. Bonds1

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

5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole (PubChem CID 112571851) has the molecular formula C8H3BrClFN2O and a molecular weight of 277.48 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
PubChem CID112571851
Molecular FormulaC8H3BrClFN2O
Molecular Weight277.48 g/mol
Exact Mass275.91
IUPAC Name5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
SMILESFc1ccc(Br)c(-c2nc(Cl)no2)c1
InChIInChI=1S/C8H3BrClFN2O/c9-6-2-1-4(11)3-5(6)7-12-8(10)13-14-7/h1-3H
InChIKeyFJURLLZCBLPLDG-UHFFFAOYSA-N
XLogP3.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382903
3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole
CID 112572090
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 107923647
5-(2-bromo-5-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946120
3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 112572126
1-[5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633813
5-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107923480
[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660255
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138
[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326218
5-(4-bromo-2-methylphenyl)-3-chloro-1,2,4-oxadiazole
CID 112571812
4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117395502

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole (CID 112571851) is 5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole is Fc1ccc(Br)c(-c2nc(Cl)no2)c1.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole?
The InChIKey is FJURLLZCBLPLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFN2O/c9-6-2-1-4(11)3-5(6)7-12-8(10)13-14-7/h1-3H.
What are the key properties of 5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole?
5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole has a molecular weight of 277.48 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole is sourced from PubChem (CID 112571851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).