5-(2-bromophenyl)oxadiazole

C8H5BrN2O — CID 86070760

IUPAC5-(2-bromophenyl)oxadiazole
SMILESBrc1ccccc1-c1cnno1
InChIInChI=1S/C8H5BrN2O/c9-7-4-2-1-3-6(7)8-5-10-11-12-8/h1-5H
InChIKeyCEIJBZRSFIIOJA-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.50
Rot. Bonds1

About 5-(2-bromophenyl)oxadiazole

5-(2-bromophenyl)oxadiazole (PubChem CID 86070760) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 5-(2-bromophenyl)oxadiazole.

Molecular Properties

Compound Name5-(2-bromophenyl)oxadiazole
PubChem CID86070760
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name5-(2-bromophenyl)oxadiazole
SMILESBrc1ccccc1-c1cnno1
InChIInChI=1S/C8H5BrN2O/c9-7-4-2-1-3-6(7)8-5-10-11-12-8/h1-5H
InChIKeyCEIJBZRSFIIOJA-UHFFFAOYSA-N
XLogP2.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)oxadiazole?
The IUPAC name of 5-(2-bromophenyl)oxadiazole (CID 86070760) is 5-(2-bromophenyl)oxadiazole.
What is the SMILES notation for 5-(2-bromophenyl)oxadiazole?
The canonical SMILES for 5-(2-bromophenyl)oxadiazole is Brc1ccccc1-c1cnno1.
What is the InChIKey of 5-(2-bromophenyl)oxadiazole?
The InChIKey is CEIJBZRSFIIOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-7-4-2-1-3-6(7)8-5-10-11-12-8/h1-5H.
What are the key properties of 5-(2-bromophenyl)oxadiazole?
5-(2-bromophenyl)oxadiazole has a molecular weight of 225.05 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)oxadiazole is sourced from PubChem (CID 86070760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).