2-bromo-5-cyclohexyl-1,3,4-oxadiazole

C8H11BrN2O — CID 82289032

IUPAC2-bromo-5-cyclohexyl-1,3,4-oxadiazole
SMILESBrc1nnc(C2CCCCC2)o1
InChIInChI=1S/C8H11BrN2O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyIMNNBZOJEVHQCK-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.88
Rot. Bonds1

About 2-bromo-5-cyclohexyl-1,3,4-oxadiazole

2-bromo-5-cyclohexyl-1,3,4-oxadiazole (PubChem CID 82289032) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-bromo-5-cyclohexyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-cyclohexyl-1,3,4-oxadiazole
PubChem CID82289032
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2-bromo-5-cyclohexyl-1,3,4-oxadiazole
SMILESBrc1nnc(C2CCCCC2)o1
InChIInChI=1S/C8H11BrN2O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyIMNNBZOJEVHQCK-UHFFFAOYSA-N
XLogP2.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclohexyl-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-cyclohexyl-1,3,4-oxadiazole (CID 82289032) is 2-bromo-5-cyclohexyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-cyclohexyl-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-cyclohexyl-1,3,4-oxadiazole is Brc1nnc(C2CCCCC2)o1.
What is the InChIKey of 2-bromo-5-cyclohexyl-1,3,4-oxadiazole?
The InChIKey is IMNNBZOJEVHQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 2-bromo-5-cyclohexyl-1,3,4-oxadiazole?
2-bromo-5-cyclohexyl-1,3,4-oxadiazole has a molecular weight of 231.09 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclohexyl-1,3,4-oxadiazole is sourced from PubChem (CID 82289032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).