2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole

C9H6BrFN2O — CID 114771109

IUPAC2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(F)cc1-c1nnc(Br)o1
InChIInChI=1S/C9H6BrFN2O/c1-5-2-3-6(11)4-7(5)8-12-13-9(10)14-8/h2-4H,1H3
InChIKeyZFLJDVCSSWIFNZ-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.95
Rot. Bonds1

About 2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole

2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 114771109) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole
PubChem CID114771109
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(F)cc1-c1nnc(Br)o1
InChIInChI=1S/C9H6BrFN2O/c1-5-2-3-6(11)4-7(5)8-12-13-9(10)14-8/h2-4H,1H3
InChIKeyZFLJDVCSSWIFNZ-UHFFFAOYSA-N
XLogP2.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 63048941
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 114771183
1-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63048632
4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine
CID 164557692
2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 130551272
2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 114771182
ethyl 5-(2-bromo-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619275
2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
CID 106856548
5-bromo-4,6-dichloro-2-(5-fluoro-2-methylphenyl)pyrimidine
CID 66314548
5-(5-fluoro-2-methylphenyl)-1H-pyrazole
CID 89211129
2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 63048806
4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 155569508

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole (CID 114771109) is 2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(F)cc1-c1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is ZFLJDVCSSWIFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c1-5-2-3-6(11)4-7(5)8-12-13-9(10)14-8/h2-4H,1H3.
What are the key properties of 2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole?
2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 257.06 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).