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

C11H9Br2FN2O — CID 55124393

IUPAC2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C11H9Br2FN2O/c1-2-8(13)11-16-15-10(17-11)7-4-3-6(12)5-9(7)14/h3-5,8H,2H2,1H3
InChIKeyDOFQVDOFCBUNEU-UHFFFAOYSA-N
MW364.01 g/mol
LogP4.48
Rot. Bonds3

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

2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole (PubChem CID 55124393) has the molecular formula C11H9Br2FN2O and a molecular weight of 364.01 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole
PubChem CID55124393
Molecular FormulaC11H9Br2FN2O
Molecular Weight364.01 g/mol
Exact Mass361.91
IUPAC Name2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C11H9Br2FN2O/c1-2-8(13)11-16-15-10(17-11)7-4-3-6(12)5-9(7)14/h3-5,8H,2H2,1H3
InChIKeyDOFQVDOFCBUNEU-UHFFFAOYSA-N
XLogP4.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole
CID 62856351
2-(1-bromopropyl)-5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 106860714
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 114771183
2-(1-bromopropyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 62856513
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
2-(1-bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669994
1-[5-(5-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857466
2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 62856199
2-(1-bromopropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 62856515
3-[5-(1-bromopropyl)-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 82829775
2-(1-bromopropyl)-5-(4-methylsulfanylphenyl)-1,3,4-oxadiazole
CID 79215563
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55124542

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole (CID 55124393) is 2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole is CCC(Br)c1nnc(-c2ccc(Br)cc2F)o1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole?
The InChIKey is DOFQVDOFCBUNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2FN2O/c1-2-8(13)11-16-15-10(17-11)7-4-3-6(12)5-9(7)14/h3-5,8H,2H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole?
2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole has a molecular weight of 364.01 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-5-(1-bromopropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 55124393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).