2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole

C12H20N2O — CID 67208478

IUPAC2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(C2CCCCC2)o1
InChIInChI=1S/C12H20N2O/c1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyZGEIBXJLPFJOQI-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.41
Rot. Bonds1

About 2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole

2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole (PubChem CID 67208478) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole
PubChem CID67208478
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(C2CCCCC2)o1
InChIInChI=1S/C12H20N2O/c1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyZGEIBXJLPFJOQI-UHFFFAOYSA-N
XLogP3.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.41
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-cyclohexyl-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole (CID 67208478) is 2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole is CC(C)(C)c1nnc(C2CCCCC2)o1.
What is the InChIKey of 2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole?
The InChIKey is ZGEIBXJLPFJOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of 2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole?
2-tert-butyl-5-cyclohexyl-1,3,4-oxadiazole has a molecular weight of 208.31 g/mol, XLogP of 3.41, 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-cyclohexyl-1,3,4-oxadiazole is sourced from PubChem (CID 67208478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).