5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole

C10H8BrClN2O — CID 43120188

IUPAC5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole
SMILESClCc1noc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C10H8BrClN2O/c11-8-3-1-7(2-4-8)5-10-13-9(6-12)14-15-10/h1-4H,5-6H2
InChIKeyFVQWOLJBGITBIS-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.16
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole

5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole (PubChem CID 43120188) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole
PubChem CID43120188
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole
SMILESClCc1noc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C10H8BrClN2O/c11-8-3-1-7(2-4-8)5-10-13-9(6-12)14-15-10/h1-4H,5-6H2
InChIKeyFVQWOLJBGITBIS-UHFFFAOYSA-N
XLogP3.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole (CID 43120188) is 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole is ClCc1noc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole?
The InChIKey is FVQWOLJBGITBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c11-8-3-1-7(2-4-8)5-10-13-9(6-12)14-15-10/h1-4H,5-6H2.
What are the key properties of 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole?
5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole has a molecular weight of 287.54 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 43120188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).