5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole

C11H20N2O — CID 20774334

IUPAC5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
SMILESCC(C)(C)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C11H20N2O/c1-10(2,3)7-8-12-9(14-13-8)11(4,5)6/h7H2,1-6H3
InChIKeyUGCCRRSNQMDJPF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.96
Rot. Bonds1

About 5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole

5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole (PubChem CID 20774334) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
PubChem CID20774334
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
SMILESCC(C)(C)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C11H20N2O/c1-10(2,3)7-8-12-9(14-13-8)11(4,5)6/h7H2,1-6H3
InChIKeyUGCCRRSNQMDJPF-UHFFFAOYSA-N
XLogP2.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole (CID 20774334) is 5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole is CC(C)(C)Cc1noc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
The InChIKey is UGCCRRSNQMDJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2,3)7-8-12-9(14-13-8)11(4,5)6/h7H2,1-6H3.
What are the key properties of 5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole?
5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole has a molecular weight of 196.29 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 20774334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).