5-ethenyl-3-octyl-1,2,4-oxadiazole

C12H20N2O — CID 156799943

IUPAC5-ethenyl-3-octyl-1,2,4-oxadiazole
SMILESC=Cc1nc(CCCCCCCC)no1
InChIInChI=1S/C12H20N2O/c1-3-5-6-7-8-9-10-11-13-12(4-2)15-14-11/h4H,2-3,5-10H2,1H3
InChIKeyHDYSWEVIGQTXKD-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.62
Rot. Bonds8

About 5-ethenyl-3-octyl-1,2,4-oxadiazole

5-ethenyl-3-octyl-1,2,4-oxadiazole (PubChem CID 156799943) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-ethenyl-3-octyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethenyl-3-octyl-1,2,4-oxadiazole
PubChem CID156799943
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-ethenyl-3-octyl-1,2,4-oxadiazole
SMILESC=Cc1nc(CCCCCCCC)no1
InChIInChI=1S/C12H20N2O/c1-3-5-6-7-8-9-10-11-13-12(4-2)15-14-11/h4H,2-3,5-10H2,1H3
InChIKeyHDYSWEVIGQTXKD-UHFFFAOYSA-N
XLogP3.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.62
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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Related Compounds

3-butyl-5-ethenyl-1,2,4-oxadiazole
CID 79405150
3-undecyl-1,2,4-oxadiazol-5-amine
CID 10900725
3-pentyl-1,2,4-oxadiazol-5-amine
CID 139520354
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-octyl-1,2,4-oxadiazole
CID 53374537
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
2-[(3-nonyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enoic acid
CID 156545682
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095
2-(3-pentyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 70237676
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
3-[12-(5-amino-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazol-5-amine
CID 71378288
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-octyl-1,2,4-oxadiazole?
The IUPAC name of 5-ethenyl-3-octyl-1,2,4-oxadiazole (CID 156799943) is 5-ethenyl-3-octyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethenyl-3-octyl-1,2,4-oxadiazole?
The canonical SMILES for 5-ethenyl-3-octyl-1,2,4-oxadiazole is C=Cc1nc(CCCCCCCC)no1.
What is the InChIKey of 5-ethenyl-3-octyl-1,2,4-oxadiazole?
The InChIKey is HDYSWEVIGQTXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-6-7-8-9-10-11-13-12(4-2)15-14-11/h4H,2-3,5-10H2,1H3.
What are the key properties of 5-ethenyl-3-octyl-1,2,4-oxadiazole?
5-ethenyl-3-octyl-1,2,4-oxadiazole has a molecular weight of 208.30 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-octyl-1,2,4-oxadiazole is sourced from PubChem (CID 156799943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).