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

C11H20N2O — CID 118391800

IUPAC2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole
SMILESCC(C)(C)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C11H20N2O/c1-10(2,3)7-8-12-13-9(14-8)11(4,5)6/h7H2,1-6H3
InChIKeyMGQMDVCKOABIAH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.96
Rot. Bonds1

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

2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole (PubChem CID 118391800) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole
PubChem CID118391800
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole
SMILESCC(C)(C)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C11H20N2O/c1-10(2,3)7-8-12-13-9(14-8)11(4,5)6/h7H2,1-6H3
InChIKeyMGQMDVCKOABIAH-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 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole (CID 118391800) is 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole is CC(C)(C)Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole?
The InChIKey is MGQMDVCKOABIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2,3)7-8-12-13-9(14-8)11(4,5)6/h7H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole?
2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-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 2-tert-butyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 118391800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).