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

C10H11BrN4O — CID 22271744

IUPAC5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole
SMILESCc1nc(Br)n(C)c1-c1nc(C2CC2)no1
InChIInChI=1S/C10H11BrN4O/c1-5-7(15(2)10(11)12-5)9-13-8(14-16-9)6-3-4-6/h6H,3-4H2,1-2H3
InChIKeyYBEBLNXOPFITEN-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.42
Rot. Bonds2

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

5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 22271744) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole
PubChem CID22271744
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole
SMILESCc1nc(Br)n(C)c1-c1nc(C2CC2)no1
InChIInChI=1S/C10H11BrN4O/c1-5-7(15(2)10(11)12-5)9-13-8(14-16-9)6-3-4-6/h6H,3-4H2,1-2H3
InChIKeyYBEBLNXOPFITEN-UHFFFAOYSA-N
XLogP2.42
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.42
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-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole (CID 22271744) is 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole is Cc1nc(Br)n(C)c1-c1nc(C2CC2)no1.
What is the InChIKey of 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is YBEBLNXOPFITEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-5-7(15(2)10(11)12-5)9-13-8(14-16-9)6-3-4-6/h6H,3-4H2,1-2H3.
What are the key properties of 5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole?
5-(2-bromo-3,5-dimethylimidazol-4-yl)-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 283.13 g/mol, XLogP of 2.42, 2 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-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 22271744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).