3,5-ditert-butyl-1,2,4-oxadiazole

C10H18N2O — CID 20626703

IUPAC3,5-ditert-butyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C10H18N2O/c1-9(2,3)7-11-8(13-12-7)10(4,5)6/h1-6H3
InChIKeySPNAUURQVBIITF-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.66
Rot. Bonds

About 3,5-ditert-butyl-1,2,4-oxadiazole

3,5-ditert-butyl-1,2,4-oxadiazole (PubChem CID 20626703) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,5-ditert-butyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-ditert-butyl-1,2,4-oxadiazole
PubChem CID20626703
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,5-ditert-butyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C10H18N2O/c1-9(2,3)7-11-8(13-12-7)10(4,5)6/h1-6H3
InChIKeySPNAUURQVBIITF-UHFFFAOYSA-N
XLogP2.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-1,2,4-oxadiazole?
The IUPAC name of 3,5-ditert-butyl-1,2,4-oxadiazole (CID 20626703) is 3,5-ditert-butyl-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-ditert-butyl-1,2,4-oxadiazole?
The canonical SMILES for 3,5-ditert-butyl-1,2,4-oxadiazole is CC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of 3,5-ditert-butyl-1,2,4-oxadiazole?
The InChIKey is SPNAUURQVBIITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2,3)7-11-8(13-12-7)10(4,5)6/h1-6H3.
What are the key properties of 3,5-ditert-butyl-1,2,4-oxadiazole?
3,5-ditert-butyl-1,2,4-oxadiazole has a molecular weight of 182.27 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-1,2,4-oxadiazole is sourced from PubChem (CID 20626703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).