3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine

C14H12N2O2 — CID 54499898

IUPAC3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine
SMILESC1=CONC(c2cccc(C3=CC=CON3)c2)=C1
InChIInChI=1S/C14H12N2O2/c1-4-11(13-6-2-8-17-15-13)10-12(5-1)14-7-3-9-18-16-14/h1-10,15-16H
InChIKeyYBRQPODNDCLNHY-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.47
Rot. Bonds2

About 3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine

3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine (PubChem CID 54499898) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine.

Molecular Properties

Compound Name3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine
PubChem CID54499898
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine
SMILESC1=CONC(c2cccc(C3=CC=CON3)c2)=C1
InChIInChI=1S/C14H12N2O2/c1-4-11(13-6-2-8-17-15-13)10-12(5-1)14-7-3-9-18-16-14/h1-10,15-16H
InChIKeyYBRQPODNDCLNHY-UHFFFAOYSA-N
XLogP2.47
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine?
The IUPAC name of 3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine (CID 54499898) is 3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine.
What is the SMILES notation for 3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine?
The canonical SMILES for 3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine is C1=CONC(c2cccc(C3=CC=CON3)c2)=C1.
What is the InChIKey of 3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine?
The InChIKey is YBRQPODNDCLNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-4-11(13-6-2-8-17-15-13)10-12(5-1)14-7-3-9-18-16-14/h1-10,15-16H.
What are the key properties of 3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine?
3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine has a molecular weight of 240.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2H-oxazin-3-yl)phenyl]-2H-oxazine is sourced from PubChem (CID 54499898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).