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

C9H5BrCl2N2O — CID 43805456

IUPAC2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C9H5BrCl2N2O/c10-5-1-2-6(7(12)3-5)9-14-13-8(4-11)15-9/h1-3H,4H2
InChIKeyRNQATAUFOHXETM-UHFFFAOYSA-N
MW307.96 g/mol
LogP3.89
Rot. Bonds2

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

2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole (PubChem CID 43805456) has the molecular formula C9H5BrCl2N2O and a molecular weight of 307.96 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
PubChem CID43805456
Molecular FormulaC9H5BrCl2N2O
Molecular Weight307.96 g/mol
Exact Mass305.90
IUPAC Name2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C9H5BrCl2N2O/c10-5-1-2-6(7(12)3-5)9-14-13-8(4-11)15-9/h1-3H,4H2
InChIKeyRNQATAUFOHXETM-UHFFFAOYSA-N
XLogP3.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.96
LogP ≤ 53.89
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

[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070230
2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole
CID 114771099
2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852853
2-(5-bromo-2-propan-2-yloxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852458
2-(5-bromo-2-hexoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852793
2-[5-(5-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 55043927
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55124542
2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 65307879
2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 107949600
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858787
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole (CID 43805456) is 2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole is ClCc1nnc(-c2ccc(Br)cc2Cl)o1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The InChIKey is RNQATAUFOHXETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2O/c10-5-1-2-6(7(12)3-5)9-14-13-8(4-11)15-9/h1-3H,4H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole has a molecular weight of 307.96 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43805456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).