3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole

C10H16N2O2 — CID 126703822

IUPAC3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1noc(CCC2CCC(C)O2)n1
InChIInChI=1S/C10H16N2O2/c1-7-3-4-9(13-7)5-6-10-11-8(2)12-14-10/h7,9H,3-6H2,1-2H3
InChIKeyAVZLUZPWNUOVOE-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.88
Rot. Bonds3

About 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole

3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 126703822) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole
PubChem CID126703822
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1noc(CCC2CCC(C)O2)n1
InChIInChI=1S/C10H16N2O2/c1-7-3-4-9(13-7)5-6-10-11-8(2)12-14-10/h7,9H,3-6H2,1-2H3
InChIKeyAVZLUZPWNUOVOE-UHFFFAOYSA-N
XLogP1.88
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole (CID 126703822) is 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole is Cc1noc(CCC2CCC(C)O2)n1.
What is the InChIKey of 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is AVZLUZPWNUOVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-3-4-9(13-7)5-6-10-11-8(2)12-14-10/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole?
3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 196.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126703822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).