3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole

C14H12N2O — CID 91533695

IUPAC3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole
SMILESC(=CC=Cc1ccon1)C=Cc1ccccn1
InChIInChI=1S/C14H12N2O/c1(2-4-9-14-10-12-17-16-14)3-7-13-8-5-6-11-15-13/h1-12H
InChIKeyGHPPXNJBOVEOLI-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.35
Rot. Bonds4

About 3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole

3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole (PubChem CID 91533695) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole
PubChem CID91533695
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole
SMILESC(=CC=Cc1ccon1)C=Cc1ccccn1
InChIInChI=1S/C14H12N2O/c1(2-4-9-14-10-12-17-16-14)3-7-13-8-5-6-11-15-13/h1-12H
InChIKeyGHPPXNJBOVEOLI-UHFFFAOYSA-N
XLogP3.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.35
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 3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole?
The IUPAC name of 3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole (CID 91533695) is 3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole.
What is the SMILES notation for 3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole?
The canonical SMILES for 3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole is C(=CC=Cc1ccon1)C=Cc1ccccn1.
What is the InChIKey of 3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole?
The InChIKey is GHPPXNJBOVEOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1(2-4-9-14-10-12-17-16-14)3-7-13-8-5-6-11-15-13/h1-12H.
What are the key properties of 3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole?
3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole has a molecular weight of 224.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pyridin-2-ylhexa-1,3,5-trienyl)-1,2-oxazole is sourced from PubChem (CID 91533695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).