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

C11H18N2O — CID 89027400

IUPAC2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(C2CCCC2)o1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10-13-12-9(14-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyFKZKKHRVLGSDFI-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.02
Rot. Bonds1

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

2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole (PubChem CID 89027400) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole
PubChem CID89027400
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(C2CCCC2)o1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10-13-12-9(14-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyFKZKKHRVLGSDFI-UHFFFAOYSA-N
XLogP3.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.02
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-cyclopentyl-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole (CID 89027400) is 2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole is CC(C)(C)c1nnc(C2CCCC2)o1.
What is the InChIKey of 2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole?
The InChIKey is FKZKKHRVLGSDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)10-13-12-9(14-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole?
2-tert-butyl-5-cyclopentyl-1,3,4-oxadiazole has a molecular weight of 194.28 g/mol, XLogP of 3.02, 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-cyclopentyl-1,3,4-oxadiazole is sourced from PubChem (CID 89027400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).