3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole

C13H24N4O — CID 177028383

IUPAC3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole
SMILESCC.CC(C)c1cn(C)cn1.Cc1noc(C)n1
InChIInChI=1S/C7H12N2.C4H6N2O.C2H6/c1-6(2)7-4-9(3)5-8-7;1-3-5-4(2)7-6-3;1-2/h4-6H,1-3H3;1-2H3;1-2H3
InChIKeyRXIJRTVYBLEWOR-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.26
Rot. Bonds1

About 3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole

3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole (PubChem CID 177028383) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole
PubChem CID177028383
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole
SMILESCC.CC(C)c1cn(C)cn1.Cc1noc(C)n1
InChIInChI=1S/C7H12N2.C4H6N2O.C2H6/c1-6(2)7-4-9(3)5-8-7;1-3-5-4(2)7-6-3;1-2/h4-6H,1-3H3;1-2H3;1-2H3
InChIKeyRXIJRTVYBLEWOR-UHFFFAOYSA-N
XLogP3.26
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole (CID 177028383) is 3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole is CC.CC(C)c1cn(C)cn1.Cc1noc(C)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole?
The InChIKey is RXIJRTVYBLEWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C4H6N2O.C2H6/c1-6(2)7-4-9(3)5-8-7;1-3-5-4(2)7-6-3;1-2/h4-6H,1-3H3;1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole?
3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole has a molecular weight of 252.36 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;ethane;1-methyl-4-propan-2-ylimidazole is sourced from PubChem (CID 177028383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).