5-tert-butyl-3-methyl-1,2,4-oxadiazole

C7H12N2O — CID 15613867

IUPAC5-tert-butyl-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(C)(C)C)n1
InChIInChI=1S/C7H12N2O/c1-5-8-6(10-9-5)7(2,3)4/h1-4H3
InChIKeyRIZZIZOOMFEJDM-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.68
Rot. Bonds

About 5-tert-butyl-3-methyl-1,2,4-oxadiazole

5-tert-butyl-3-methyl-1,2,4-oxadiazole (PubChem CID 15613867) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-1,2,4-oxadiazole
PubChem CID15613867
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-tert-butyl-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(C)(C)C)n1
InChIInChI=1S/C7H12N2O/c1-5-8-6(10-9-5)7(2,3)4/h1-4H3
InChIKeyRIZZIZOOMFEJDM-UHFFFAOYSA-N
XLogP1.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-3-methyl-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 5-tert-butyl-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-methyl-1,2,4-oxadiazole (CID 15613867) is 5-tert-butyl-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-methyl-1,2,4-oxadiazole is Cc1noc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-methyl-1,2,4-oxadiazole?
The InChIKey is RIZZIZOOMFEJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-8-6(10-9-5)7(2,3)4/h1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-1,2,4-oxadiazole?
5-tert-butyl-3-methyl-1,2,4-oxadiazole has a molecular weight of 140.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 15613867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).