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

C12H20N2O — CID 123912354

IUPAC5-cyclooctyl-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C2CCCCCCC2)n1
InChIInChI=1S/C12H20N2O/c1-2-11-13-12(15-14-11)10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3
InChIKeyACLPCRIXTXLREA-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.46
Rot. Bonds2

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

5-cyclooctyl-3-ethyl-1,2,4-oxadiazole (PubChem CID 123912354) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-cyclooctyl-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclooctyl-3-ethyl-1,2,4-oxadiazole
PubChem CID123912354
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-cyclooctyl-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C2CCCCCCC2)n1
InChIInChI=1S/C12H20N2O/c1-2-11-13-12(15-14-11)10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3
InChIKeyACLPCRIXTXLREA-UHFFFAOYSA-N
XLogP3.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclooctyl-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-cyclooctyl-3-ethyl-1,2,4-oxadiazole (CID 123912354) is 5-cyclooctyl-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclooctyl-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclooctyl-3-ethyl-1,2,4-oxadiazole is CCc1noc(C2CCCCCCC2)n1.
What is the InChIKey of 5-cyclooctyl-3-ethyl-1,2,4-oxadiazole?
The InChIKey is ACLPCRIXTXLREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-11-13-12(15-14-11)10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3.
What are the key properties of 5-cyclooctyl-3-ethyl-1,2,4-oxadiazole?
5-cyclooctyl-3-ethyl-1,2,4-oxadiazole has a molecular weight of 208.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooctyl-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 123912354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).