2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole

C13H24N2O — CID 155358788

IUPAC2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole
SMILESCCCCC(C)(CC)CCc1nnc(C)o1
InChIInChI=1S/C13H24N2O/c1-5-7-9-13(4,6-2)10-8-12-15-14-11(3)16-12/h5-10H2,1-4H3
InChIKeyYQQWAKKNKIXYJU-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.92
Rot. Bonds7

About 2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole

2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 155358788) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole
PubChem CID155358788
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole
SMILESCCCCC(C)(CC)CCc1nnc(C)o1
InChIInChI=1S/C13H24N2O/c1-5-7-9-13(4,6-2)10-8-12-15-14-11(3)16-12/h5-10H2,1-4H3
InChIKeyYQQWAKKNKIXYJU-UHFFFAOYSA-N
XLogP3.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole (CID 155358788) is 2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole is CCCCC(C)(CC)CCc1nnc(C)o1.
What is the InChIKey of 2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is YQQWAKKNKIXYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-7-9-13(4,6-2)10-8-12-15-14-11(3)16-12/h5-10H2,1-4H3.
What are the key properties of 2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole?
2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 224.35 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-methylheptyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155358788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).