2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole

C8H9BrN2O — CID 114771170

IUPAC2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole
SMILESBrc1nnc(C2CC3CC3C2)o1
InChIInChI=1S/C8H9BrN2O/c9-8-11-10-7(12-8)6-2-4-1-5(4)3-6/h4-6H,1-3H2
InChIKeyHQPCQBBIXUIGNV-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.35
Rot. Bonds1

About 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole

2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole (PubChem CID 114771170) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole
PubChem CID114771170
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole
SMILESBrc1nnc(C2CC3CC3C2)o1
InChIInChI=1S/C8H9BrN2O/c9-8-11-10-7(12-8)6-2-4-1-5(4)3-6/h4-6H,1-3H2
InChIKeyHQPCQBBIXUIGNV-UHFFFAOYSA-N
XLogP2.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-cyclooctyl-1,3,4-oxadiazole
CID 114771199
2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole
CID 114824090
2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 114771335
2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole
CID 114771380
2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953899
2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole
CID 125457953
2,5-bis(2-adamantyl)-1,3,4-oxadiazole
CID 16727838
(3S)-3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.1.1]hexan-1-amine
CID 174265121
(3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine
CID 162633683
2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 130621431
3-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutan-1-amine
CID 90064881
3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine
CID 167268267

Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole (CID 114771170) is 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole is Brc1nnc(C2CC3CC3C2)o1.
What is the InChIKey of 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole?
The InChIKey is HQPCQBBIXUIGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-8-11-10-7(12-8)6-2-4-1-5(4)3-6/h4-6H,1-3H2.
What are the key properties of 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole?
2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole has a molecular weight of 229.08 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[3.1.0]hexanyl)-5-bromo-1,3,4-oxadiazole is sourced from PubChem (CID 114771170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).