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

C9H14N2O — CID 127300589

IUPAC5-cyclopentyl-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C2CCCC2)n1
InChIInChI=1S/C9H14N2O/c1-2-8-10-9(12-11-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyJFUUEGVSQBPYMP-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.29
Rot. Bonds2

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

5-cyclopentyl-3-ethyl-1,2,4-oxadiazole (PubChem CID 127300589) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-cyclopentyl-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopentyl-3-ethyl-1,2,4-oxadiazole
PubChem CID127300589
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-cyclopentyl-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C2CCCC2)n1
InChIInChI=1S/C9H14N2O/c1-2-8-10-9(12-11-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyJFUUEGVSQBPYMP-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 5-cyclopentyl-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopentyl-3-ethyl-1,2,4-oxadiazole (CID 127300589) is 5-cyclopentyl-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopentyl-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopentyl-3-ethyl-1,2,4-oxadiazole is CCc1noc(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-3-ethyl-1,2,4-oxadiazole?
The InChIKey is JFUUEGVSQBPYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-8-10-9(12-11-8)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of 5-cyclopentyl-3-ethyl-1,2,4-oxadiazole?
5-cyclopentyl-3-ethyl-1,2,4-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 5-cyclopentyl-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 127300589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).