2-cyclopentyl-5-ethyl-1,3,4-oxadiazole

C9H14N2O — CID 89036721

IUPAC2-cyclopentyl-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2CCCC2)o1
InChIInChI=1S/C9H14N2O/c1-2-8-10-11-9(12-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyUPAPSJCVTBAYNJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.29
Rot. Bonds2

About 2-cyclopentyl-5-ethyl-1,3,4-oxadiazole

2-cyclopentyl-5-ethyl-1,3,4-oxadiazole (PubChem CID 89036721) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-cyclopentyl-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-ethyl-1,3,4-oxadiazole
PubChem CID89036721
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-cyclopentyl-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2CCCC2)o1
InChIInChI=1S/C9H14N2O/c1-2-8-10-11-9(12-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyUPAPSJCVTBAYNJ-UHFFFAOYSA-N
XLogP2.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-ethyl-1,3,4-oxadiazole (CID 89036721) is 2-cyclopentyl-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-ethyl-1,3,4-oxadiazole is CCc1nnc(C2CCCC2)o1.
What is the InChIKey of 2-cyclopentyl-5-ethyl-1,3,4-oxadiazole?
The InChIKey is UPAPSJCVTBAYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-8-10-11-9(12-8)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-5-ethyl-1,3,4-oxadiazole?
2-cyclopentyl-5-ethyl-1,3,4-oxadiazole has a molecular weight of 166.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 89036721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).