3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C9H4BrF3N2O — CID 112571611

IUPAC3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nc(Br)no2)cc1
InChIInChI=1S/C9H4BrF3N2O/c10-8-14-7(16-15-8)5-1-3-6(4-2-5)9(11,12)13/h1-4H
InChIKeyASZZKQZXXLYLLM-UHFFFAOYSA-N
MW293.04 g/mol
LogP3.52
Rot. Bonds1

About 3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 112571611) has the molecular formula C9H4BrF3N2O and a molecular weight of 293.04 g/mol. Its IUPAC name is 3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID112571611
Molecular FormulaC9H4BrF3N2O
Molecular Weight293.04 g/mol
Exact Mass291.95
IUPAC Name3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nc(Br)no2)cc1
InChIInChI=1S/C9H4BrF3N2O/c10-8-14-7(16-15-8)5-1-3-6(4-2-5)9(11,12)13/h1-4H
InChIKeyASZZKQZXXLYLLM-UHFFFAOYSA-N
XLogP3.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-[4-(trifluoromethyl)phenyl]-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-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600
3-bromo-5-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 114909265
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 10105857
3-bromo-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 112571512
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635213
5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1472030
5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 22244128
4-hydroxy-3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 135924137
2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141075
3-bromo-5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 112571626
3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 112571789

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 112571611) is 3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2nc(Br)no2)cc1.
What is the InChIKey of 3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is ASZZKQZXXLYLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2O/c10-8-14-7(16-15-8)5-1-3-6(4-2-5)9(11,12)13/h1-4H.
What are the key properties of 3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 293.04 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 112571611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).