N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine

C15H11N3O — CID 142947845

IUPACN-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/c1ccc(-c2cnco2)cc1)\c1ccccn1
InChIInChI=1S/C15H11N3O/c1-2-8-17-14(3-1)9-18-13-6-4-12(5-7-13)15-10-16-11-19-15/h1-11H/b18-9+
InChIKeyJFFMXSZRIMDFSD-GIJQJNRQSA-N
MW249.27 g/mol
LogP3.49
Rot. Bonds3

About N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine

N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine (PubChem CID 142947845) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine
PubChem CID142947845
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC NameN-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/c1ccc(-c2cnco2)cc1)\c1ccccn1
InChIInChI=1S/C15H11N3O/c1-2-8-17-14(3-1)9-18-13-6-4-12(5-7-13)15-10-16-11-19-15/h1-11H/b18-9+
InChIKeyJFFMXSZRIMDFSD-GIJQJNRQSA-N
XLogP3.49
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine (CID 142947845) is N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine is C(=N/c1ccc(-c2cnco2)cc1)\c1ccccn1.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine?
The InChIKey is JFFMXSZRIMDFSD-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H11N3O/c1-2-8-17-14(3-1)9-18-13-6-4-12(5-7-13)15-10-16-11-19-15/h1-11H/b18-9+.
What are the key properties of N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine?
N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine has a molecular weight of 249.27 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)phenyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 142947845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).