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

C7H7BrN4O — CID 22271704

IUPAC5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nc(Br)n(C)c1-c1ncno1
InChIInChI=1S/C7H7BrN4O/c1-4-5(6-9-3-10-13-6)12(2)7(8)11-4/h3H,1-2H3
InChIKeyLJZLMNGRHPZJFR-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.54
Rot. Bonds1

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

5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole (PubChem CID 22271704) has the molecular formula C7H7BrN4O and a molecular weight of 243.06 g/mol. Its IUPAC name is 5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole
PubChem CID22271704
Molecular FormulaC7H7BrN4O
Molecular Weight243.06 g/mol
Exact Mass241.98
IUPAC Name5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nc(Br)n(C)c1-c1ncno1
InChIInChI=1S/C7H7BrN4O/c1-4-5(6-9-3-10-13-6)12(2)7(8)11-4/h3H,1-2H3
InChIKeyLJZLMNGRHPZJFR-UHFFFAOYSA-N
XLogP1.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.54
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)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole (CID 22271704) is 5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole is Cc1nc(Br)n(C)c1-c1ncno1.
What is the InChIKey of 5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is LJZLMNGRHPZJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O/c1-4-5(6-9-3-10-13-6)12(2)7(8)11-4/h3H,1-2H3.
What are the key properties of 5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole?
5-(2-bromo-3,5-dimethylimidazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 243.06 g/mol, XLogP of 1.54, 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)-1,2,4-oxadiazole is sourced from PubChem (CID 22271704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).