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

C8H10N4O — CID 22271700

IUPAC5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2c(C)ncn2C)n1
InChIInChI=1S/C8H10N4O/c1-5-7(12(3)4-9-5)8-10-6(2)11-13-8/h4H,1-3H3
InChIKeyMFERZVMZUBTTLX-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.09
Rot. Bonds1

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

5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 22271700) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID22271700
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2c(C)ncn2C)n1
InChIInChI=1S/C8H10N4O/c1-5-7(12(3)4-9-5)8-10-6(2)11-13-8/h4H,1-3H3
InChIKeyMFERZVMZUBTTLX-UHFFFAOYSA-N
XLogP1.09
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole (CID 22271700) is 5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2c(C)ncn2C)n1.
What is the InChIKey of 5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is MFERZVMZUBTTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-7(12(3)4-9-5)8-10-6(2)11-13-8/h4H,1-3H3.
What are the key properties of 5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole?
5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 178.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylimidazol-4-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 22271700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).