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

C8H12N2O — CID 79405150

IUPAC3-butyl-5-ethenyl-1,2,4-oxadiazole
SMILESC=Cc1nc(CCCC)no1
InChIInChI=1S/C8H12N2O/c1-3-5-6-7-9-8(4-2)11-10-7/h4H,2-3,5-6H2,1H3
InChIKeyVIEYQVPACXIQOJ-UHFFFAOYSA-N
MW152.20 g/mol
LogP2.06
Rot. Bonds4

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

3-butyl-5-ethenyl-1,2,4-oxadiazole (PubChem CID 79405150) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-butyl-5-ethenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-ethenyl-1,2,4-oxadiazole
PubChem CID79405150
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-butyl-5-ethenyl-1,2,4-oxadiazole
SMILESC=Cc1nc(CCCC)no1
InChIInChI=1S/C8H12N2O/c1-3-5-6-7-9-8(4-2)11-10-7/h4H,2-3,5-6H2,1H3
InChIKeyVIEYQVPACXIQOJ-UHFFFAOYSA-N
XLogP2.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-ethenyl-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-ethenyl-1,2,4-oxadiazole (CID 79405150) is 3-butyl-5-ethenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-ethenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-ethenyl-1,2,4-oxadiazole is C=Cc1nc(CCCC)no1.
What is the InChIKey of 3-butyl-5-ethenyl-1,2,4-oxadiazole?
The InChIKey is VIEYQVPACXIQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-5-6-7-9-8(4-2)11-10-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 3-butyl-5-ethenyl-1,2,4-oxadiazole?
3-butyl-5-ethenyl-1,2,4-oxadiazole has a molecular weight of 152.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-ethenyl-1,2,4-oxadiazole is sourced from PubChem (CID 79405150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).