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

C9H5BrClFN2O — CID 107949600

IUPAC2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESFc1c(Br)cccc1-c1nnc(CCl)o1
InChIInChI=1S/C9H5BrClFN2O/c10-6-3-1-2-5(8(6)12)9-14-13-7(4-11)15-9/h1-3H,4H2
InChIKeyZCQXZMXWYKGFEW-UHFFFAOYSA-N
MW291.51 g/mol
LogP3.38
Rot. Bonds2

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

2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole (PubChem CID 107949600) has the molecular formula C9H5BrClFN2O and a molecular weight of 291.51 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
PubChem CID107949600
Molecular FormulaC9H5BrClFN2O
Molecular Weight291.51 g/mol
Exact Mass289.93
IUPAC Name2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESFc1c(Br)cccc1-c1nnc(CCl)o1
InChIInChI=1S/C9H5BrClFN2O/c10-6-3-1-2-5(8(6)12)9-14-13-7(4-11)15-9/h1-3H,4H2
InChIKeyZCQXZMXWYKGFEW-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'}

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Related Compounds

2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole
CID 107951358
2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 131123776
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 107952660
2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 107951352
2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43805456
2-(chloromethyl)-5-quinolin-5-yl-1,3,4-oxadiazole
CID 62849537
3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-4-fluoroaniline
CID 71563604
1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107952684
3-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81262985
3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole
CID 131185600
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
2-(2-bromophenyl)-5-[[4-(chloromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole
CID 62399332

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole (CID 107949600) is 2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole is Fc1c(Br)cccc1-c1nnc(CCl)o1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The InChIKey is ZCQXZMXWYKGFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2O/c10-6-3-1-2-5(8(6)12)9-14-13-7(4-11)15-9/h1-3H,4H2.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-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 2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 107949600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).