2-[(2E)-penta-2,4-dienyl]-1,3-oxazole

C8H9NO — CID 173339967

IUPAC2-[(2E)-penta-2,4-dienyl]-1,3-oxazole
SMILESC=C/C=C/Cc1ncco1
InChIInChI=1S/C8H9NO/c1-2-3-4-5-8-9-6-7-10-8/h2-4,6-7H,1,5H2/b4-3+
InChIKeyHWEMQTSUVHGMKA-ONEGZZNKSA-N
MW135.17 g/mol
LogP1.96
Rot. Bonds3

About 2-[(2E)-penta-2,4-dienyl]-1,3-oxazole

2-[(2E)-penta-2,4-dienyl]-1,3-oxazole (PubChem CID 173339967) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-[(2E)-penta-2,4-dienyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2E)-penta-2,4-dienyl]-1,3-oxazole
PubChem CID173339967
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-[(2E)-penta-2,4-dienyl]-1,3-oxazole
SMILESC=C/C=C/Cc1ncco1
InChIInChI=1S/C8H9NO/c1-2-3-4-5-8-9-6-7-10-8/h2-4,6-7H,1,5H2/b4-3+
InChIKeyHWEMQTSUVHGMKA-ONEGZZNKSA-N
XLogP1.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.96
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 2-[(2E)-penta-2,4-dienyl]-1,3-oxazole?
The IUPAC name of 2-[(2E)-penta-2,4-dienyl]-1,3-oxazole (CID 173339967) is 2-[(2E)-penta-2,4-dienyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2E)-penta-2,4-dienyl]-1,3-oxazole?
The canonical SMILES for 2-[(2E)-penta-2,4-dienyl]-1,3-oxazole is C=C/C=C/Cc1ncco1.
What is the InChIKey of 2-[(2E)-penta-2,4-dienyl]-1,3-oxazole?
The InChIKey is HWEMQTSUVHGMKA-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-3-4-5-8-9-6-7-10-8/h2-4,6-7H,1,5H2/b4-3+.
What are the key properties of 2-[(2E)-penta-2,4-dienyl]-1,3-oxazole?
2-[(2E)-penta-2,4-dienyl]-1,3-oxazole has a molecular weight of 135.17 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-penta-2,4-dienyl]-1,3-oxazole is sourced from PubChem (CID 173339967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).