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

C9H5BrClFN2O — CID 43120179

IUPAC5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
SMILESFc1cc(Br)ccc1-c1nc(CCl)no1
InChIInChI=1S/C9H5BrClFN2O/c10-5-1-2-6(7(12)3-5)9-13-8(4-11)14-15-9/h1-3H,4H2
InChIKeySJCDIODRJTZTOM-UHFFFAOYSA-N
MW291.51 g/mol
LogP3.38
Rot. Bonds2

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

5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole (PubChem CID 43120179) has the molecular formula C9H5BrClFN2O and a molecular weight of 291.51 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
PubChem CID43120179
Molecular FormulaC9H5BrClFN2O
Molecular Weight291.51 g/mol
Exact Mass289.93
IUPAC Name5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
SMILESFc1cc(Br)ccc1-c1nc(CCl)no1
InChIInChI=1S/C9H5BrClFN2O/c10-5-1-2-6(7(12)3-5)9-13-8(4-11)14-15-9/h1-3H,4H2
InChIKeySJCDIODRJTZTOM-UHFFFAOYSA-N
XLogP3.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 43120201
3-(bromomethyl)-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 130536150
1-[5-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325627
3-(chloromethyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5311734
[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107940651
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 114375340
5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 28941934
3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 112572126
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866083
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 870621
N-[[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62344158
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795645

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole (CID 43120179) is 5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole is Fc1cc(Br)ccc1-c1nc(CCl)no1.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole?
The InChIKey is SJCDIODRJTZTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2O/c10-5-1-2-6(7(12)3-5)9-13-8(4-11)14-15-9/h1-3H,4H2.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole?
5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole has a molecular weight of 291.51 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 43120179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).