3,5-di(propan-2-yl)-1,2,4-oxadiazole

C8H14N2O — CID 22951087

IUPAC3,5-di(propan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(C(C)C)n1
InChIInChI=1S/C8H14N2O/c1-5(2)7-9-8(6(3)4)11-10-7/h5-6H,1-4H3
InChIKeyXYXMRDCHZGHNDG-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.32
Rot. Bonds2

About 3,5-di(propan-2-yl)-1,2,4-oxadiazole

3,5-di(propan-2-yl)-1,2,4-oxadiazole (PubChem CID 22951087) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,2,4-oxadiazole
PubChem CID22951087
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3,5-di(propan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(C(C)C)n1
InChIInChI=1S/C8H14N2O/c1-5(2)7-9-8(6(3)4)11-10-7/h5-6H,1-4H3
InChIKeyXYXMRDCHZGHNDG-UHFFFAOYSA-N
XLogP2.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-di(propan-2-yl)-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 3,5-di(propan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3,5-di(propan-2-yl)-1,2,4-oxadiazole (CID 22951087) is 3,5-di(propan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3,5-di(propan-2-yl)-1,2,4-oxadiazole is CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 3,5-di(propan-2-yl)-1,2,4-oxadiazole?
The InChIKey is XYXMRDCHZGHNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)7-9-8(6(3)4)11-10-7/h5-6H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-1,2,4-oxadiazole?
3,5-di(propan-2-yl)-1,2,4-oxadiazole has a molecular weight of 154.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 22951087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).