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

C9H16N2O — CID 70566927

IUPAC5-ethyl-3-pentyl-1,2,4-oxadiazole
SMILESCCCCCc1noc(CC)n1
InChIInChI=1S/C9H16N2O/c1-3-5-6-7-8-10-9(4-2)12-11-8/h3-7H2,1-2H3
InChIKeyLEQHLVJWCFZSBU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.36
Rot. Bonds5

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

5-ethyl-3-pentyl-1,2,4-oxadiazole (PubChem CID 70566927) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-ethyl-3-pentyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-pentyl-1,2,4-oxadiazole
PubChem CID70566927
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-ethyl-3-pentyl-1,2,4-oxadiazole
SMILESCCCCCc1noc(CC)n1
InChIInChI=1S/C9H16N2O/c1-3-5-6-7-8-10-9(4-2)12-11-8/h3-7H2,1-2H3
InChIKeyLEQHLVJWCFZSBU-UHFFFAOYSA-N
XLogP2.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-pentyl-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-pentyl-1,2,4-oxadiazole (CID 70566927) is 5-ethyl-3-pentyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-pentyl-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-pentyl-1,2,4-oxadiazole is CCCCCc1noc(CC)n1.
What is the InChIKey of 5-ethyl-3-pentyl-1,2,4-oxadiazole?
The InChIKey is LEQHLVJWCFZSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-6-7-8-10-9(4-2)12-11-8/h3-7H2,1-2H3.
What are the key properties of 5-ethyl-3-pentyl-1,2,4-oxadiazole?
5-ethyl-3-pentyl-1,2,4-oxadiazole has a molecular weight of 168.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-pentyl-1,2,4-oxadiazole is sourced from PubChem (CID 70566927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).