2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole

C11H14N2O — CID 143006481

IUPAC2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole
SMILESC=C/C(=C\C)c1nnc(/C(C)=C/C)o1
InChIInChI=1S/C11H14N2O/c1-5-8(4)10-12-13-11(14-10)9(6-2)7-3/h5-7H,2H2,1,3-4H3/b8-5+,9-7+
InChIKeyIZDJRSLGYRAENJ-OCIXRKKMSA-N
MW190.25 g/mol
LogP3.08
Rot. Bonds3

About 2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole

2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole (PubChem CID 143006481) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole
PubChem CID143006481
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole
SMILESC=C/C(=C\C)c1nnc(/C(C)=C/C)o1
InChIInChI=1S/C11H14N2O/c1-5-8(4)10-12-13-11(14-10)9(6-2)7-3/h5-7H,2H2,1,3-4H3/b8-5+,9-7+
InChIKeyIZDJRSLGYRAENJ-OCIXRKKMSA-N
XLogP3.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole (CID 143006481) is 2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole is C=C/C(=C\C)c1nnc(/C(C)=C/C)o1.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole?
The InChIKey is IZDJRSLGYRAENJ-OCIXRKKMSA-N. The full InChI is InChI=1S/C11H14N2O/c1-5-8(4)10-12-13-11(14-10)9(6-2)7-3/h5-7H,2H2,1,3-4H3/b8-5+,9-7+.
What are the key properties of 2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole?
2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole has a molecular weight of 190.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]-5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 143006481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).