3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole

C8H9NO — CID 173339900

IUPAC3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole
SMILESC/C=C/C=C/c1ccon1
InChIInChI=1S/C8H9NO/c1-2-3-4-5-8-6-7-10-9-8/h2-7H,1H3/b3-2+,5-4+
InChIKeyIIBWDUBZHFDTFH-MQQKCMAXSA-N
MW135.17 g/mol
LogP2.26
Rot. Bonds2

About 3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole

3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole (PubChem CID 173339900) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole
PubChem CID173339900
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole
SMILESC/C=C/C=C/c1ccon1
InChIInChI=1S/C8H9NO/c1-2-3-4-5-8-6-7-10-9-8/h2-7H,1H3/b3-2+,5-4+
InChIKeyIIBWDUBZHFDTFH-MQQKCMAXSA-N
XLogP2.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole?
The IUPAC name of 3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole (CID 173339900) is 3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole.
What is the SMILES notation for 3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole?
The canonical SMILES for 3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole is C/C=C/C=C/c1ccon1.
What is the InChIKey of 3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole?
The InChIKey is IIBWDUBZHFDTFH-MQQKCMAXSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-3-4-5-8-6-7-10-9-8/h2-7H,1H3/b3-2+,5-4+.
What are the key properties of 3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole?
3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole has a molecular weight of 135.17 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,3E)-penta-1,3-dienyl]-1,2-oxazole is sourced from PubChem (CID 173339900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).