2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole

C11H20N2O — CID 139460137

IUPAC2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C11H20N2O/c1-8(2)6-9-12-13-10(14-9)7-11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyOZXIMCKICYSQPW-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.86
Rot. Bonds3

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

2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole (PubChem CID 139460137) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
PubChem CID139460137
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C11H20N2O/c1-8(2)6-9-12-13-10(14-9)7-11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyOZXIMCKICYSQPW-UHFFFAOYSA-N
XLogP2.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole (CID 139460137) is 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole is CC(C)Cc1nnc(CC(C)(C)C)o1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
The InChIKey is OZXIMCKICYSQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)6-9-12-13-10(14-9)7-11(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole?
2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole has a molecular weight of 196.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-(2-methylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 139460137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).