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

C10H15BrN2O — CID 114771199

IUPAC2-bromo-5-cyclooctyl-1,3,4-oxadiazole
SMILESBrc1nnc(C2CCCCCCC2)o1
InChIInChI=1S/C10H15BrN2O/c11-10-13-12-9(14-10)8-6-4-2-1-3-5-7-8/h8H,1-7H2
InChIKeyISXWHNODEZNAGC-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.66
Rot. Bonds1

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

2-bromo-5-cyclooctyl-1,3,4-oxadiazole (PubChem CID 114771199) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-bromo-5-cyclooctyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-cyclooctyl-1,3,4-oxadiazole
PubChem CID114771199
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-bromo-5-cyclooctyl-1,3,4-oxadiazole
SMILESBrc1nnc(C2CCCCCCC2)o1
InChIInChI=1S/C10H15BrN2O/c11-10-13-12-9(14-10)8-6-4-2-1-3-5-7-8/h8H,1-7H2
InChIKeyISXWHNODEZNAGC-UHFFFAOYSA-N
XLogP3.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclooctyl-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-cyclooctyl-1,3,4-oxadiazole (CID 114771199) is 2-bromo-5-cyclooctyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-cyclooctyl-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-cyclooctyl-1,3,4-oxadiazole is Brc1nnc(C2CCCCCCC2)o1.
What is the InChIKey of 2-bromo-5-cyclooctyl-1,3,4-oxadiazole?
The InChIKey is ISXWHNODEZNAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c11-10-13-12-9(14-10)8-6-4-2-1-3-5-7-8/h8H,1-7H2.
What are the key properties of 2-bromo-5-cyclooctyl-1,3,4-oxadiazole?
2-bromo-5-cyclooctyl-1,3,4-oxadiazole has a molecular weight of 259.15 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclooctyl-1,3,4-oxadiazole is sourced from PubChem (CID 114771199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).