5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole

C8H9BrN4O — CID 22271714

IUPAC5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2c(C)nc(Br)n2C)n1
InChIInChI=1S/C8H9BrN4O/c1-4-6(13(3)8(9)10-4)7-11-5(2)12-14-7/h1-3H3
InChIKeyLJMSDVXOHMUVNQ-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.85
Rot. Bonds1

About 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole

5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 22271714) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID22271714
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2c(C)nc(Br)n2C)n1
InChIInChI=1S/C8H9BrN4O/c1-4-6(13(3)8(9)10-4)7-11-5(2)12-14-7/h1-3H3
InChIKeyLJMSDVXOHMUVNQ-UHFFFAOYSA-N
XLogP1.85
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole (CID 22271714) is 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2c(C)nc(Br)n2C)n1.
What is the InChIKey of 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is LJMSDVXOHMUVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c1-4-6(13(3)8(9)10-4)7-11-5(2)12-14-7/h1-3H3.
What are the key properties of 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole?
5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 257.09 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 22271714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).