2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile

C15H8N6O — CID 169339194

IUPAC2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C15H8N6O/c16-8-12(9-17)21-20-11-5-3-10(4-6-11)15-19-14-13(22-15)2-1-7-18-14/h1-7,20H
InChIKeyREEDUEJSYRTQNI-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.70
Rot. Bonds3

About 2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339194) has the molecular formula C15H8N6O and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339194
Molecular FormulaC15H8N6O
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Name2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C15H8N6O/c16-8-12(9-17)21-20-11-5-3-10(4-6-11)15-19-14-13(22-15)2-1-7-18-14/h1-7,20H
InChIKeyREEDUEJSYRTQNI-UHFFFAOYSA-N
XLogP2.70
TPSA110.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169338870
2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340926
2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]hydrazinylidene]propanedinitrile
CID 169338360
2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340516
2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]hydrazinylidene]propanedinitrile
CID 169339559
ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 91297789
2-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]hydrazinylidene]propanedinitrile
CID 169339225
2-[3-hydroxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168610712
2-[4-(furan-2-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine
CID 168526083
N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 712713
N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 2996752
2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide
CID 2993852

Frequently Asked Questions

What is the IUPAC name of 2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169339194) is 2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(-c2nc3ncccc3o2)cc1.
What is the InChIKey of 2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is REEDUEJSYRTQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N6O/c16-8-12(9-17)21-20-11-5-3-10(4-6-11)15-19-14-13(22-15)2-1-7-18-14/h1-7,20H.
What are the key properties of 2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 288.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).