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

C11H9BrClFN2O — CID 62856351

IUPAC2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(-c2ccc(F)cc2Cl)o1
InChIInChI=1S/C11H9BrClFN2O/c1-2-8(12)11-16-15-10(17-11)7-4-3-6(14)5-9(7)13/h3-5,8H,2H2,1H3
InChIKeyZKIMOYRGVCBLOC-UHFFFAOYSA-N
MW319.56 g/mol
LogP4.38
Rot. Bonds3

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

2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 62856351) has the molecular formula C11H9BrClFN2O and a molecular weight of 319.56 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID62856351
Molecular FormulaC11H9BrClFN2O
Molecular Weight319.56 g/mol
Exact Mass317.96
IUPAC Name2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(-c2ccc(F)cc2Cl)o1
InChIInChI=1S/C11H9BrClFN2O/c1-2-8(12)11-16-15-10(17-11)7-4-3-6(14)5-9(7)13/h3-5,8H,2H2,1H3
InChIKeyZKIMOYRGVCBLOC-UHFFFAOYSA-N
XLogP4.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 54.38
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-(4-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 853632
2-(3-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 259755
2-(2-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 884660
2-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 676108
2-(4-Chlorobenzyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 16193707
2-(2,4-Dichlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 96854
2-(2-Chlorophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 756156
2-(4-Chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole
CID 767103
2,5-Bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2,5-Bis(4-chlorophenyl)-1,3,4-oxadiazole
CID 75608
2-(4-Chloro-phenyl)-5-P-tolyl-(1,3,4)oxadiazole
CID 787278
2-(4-Chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 756149

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole (CID 62856351) is 2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole is CCC(Br)c1nnc(-c2ccc(F)cc2Cl)o1.
What is the InChIKey of 2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is ZKIMOYRGVCBLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN2O/c1-2-8(12)11-16-15-10(17-11)7-4-3-6(14)5-9(7)13/h3-5,8H,2H2,1H3.
What are the key properties of 2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole?
2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 319.56 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 62856351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).