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

C8H3BrClFN2O — CID 112571789

IUPAC3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(Br)no2)cc1Cl
InChIInChI=1S/C8H3BrClFN2O/c9-8-12-7(14-13-8)4-1-2-6(11)5(10)3-4/h1-3H
InChIKeyQOPXNDWWJMRTRD-UHFFFAOYSA-N
MW277.48 g/mol
LogP3.29
Rot. Bonds1

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

3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 112571789) has the molecular formula C8H3BrClFN2O and a molecular weight of 277.48 g/mol. Its IUPAC name is 3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID112571789
Molecular FormulaC8H3BrClFN2O
Molecular Weight277.48 g/mol
Exact Mass275.91
IUPAC Name3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(Br)no2)cc1Cl
InChIInChI=1S/C8H3BrClFN2O/c9-8-12-7(14-13-8)4-1-2-6(11)5(10)3-4/h1-3H
InChIKeyQOPXNDWWJMRTRD-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

3-(bromomethyl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 130536141
3-bromo-5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 112571626
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811657
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82879699
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63092079
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 82880062
5-(3-chloro-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 81422502
4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524721
4-bromo-3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296567
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524717
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82789550
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259997

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole (CID 112571789) is 3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(Br)no2)cc1Cl.
What is the InChIKey of 3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is QOPXNDWWJMRTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFN2O/c9-8-12-7(14-13-8)4-1-2-6(11)5(10)3-4/h1-3H.
What are the key properties of 3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
3-bromo-5-(3-chloro-4-fluorophenyl)-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 3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).