2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole

C13H15NO — CID 170267517

IUPAC2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole
SMILESC=C/C(=C\C)c1coc(/C(C=C)=C/C)n1
InChIInChI=1S/C13H15NO/c1-5-10(6-2)12-9-15-13(14-12)11(7-3)8-4/h5-9H,1,3H2,2,4H3/b10-6+,11-8+
InChIKeyCAGYMVGHQMTZLN-NSJFVGFPSA-N
MW201.27 g/mol
LogP3.85
Rot. Bonds4

About 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole

2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole (PubChem CID 170267517) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole
PubChem CID170267517
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole
SMILESC=C/C(=C\C)c1coc(/C(C=C)=C/C)n1
InChIInChI=1S/C13H15NO/c1-5-10(6-2)12-9-15-13(14-12)11(7-3)8-4/h5-9H,1,3H2,2,4H3/b10-6+,11-8+
InChIKeyCAGYMVGHQMTZLN-NSJFVGFPSA-N
XLogP3.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole?
The IUPAC name of 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole (CID 170267517) is 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole.
What is the SMILES notation for 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole?
The canonical SMILES for 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole is C=C/C(=C\C)c1coc(/C(C=C)=C/C)n1.
What is the InChIKey of 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole?
The InChIKey is CAGYMVGHQMTZLN-NSJFVGFPSA-N. The full InChI is InChI=1S/C13H15NO/c1-5-10(6-2)12-9-15-13(14-12)11(7-3)8-4/h5-9H,1,3H2,2,4H3/b10-6+,11-8+.
What are the key properties of 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole?
2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(3E)-penta-1,3-dien-3-yl]-1,3-oxazole is sourced from PubChem (CID 170267517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).