3-naphthalen-1-yl-2H-oxazine

C14H11NO — CID 54209924

IUPAC3-naphthalen-1-yl-2H-oxazine
SMILESC1=CONC(c2cccc3ccccc23)=C1
InChIInChI=1S/C14H11NO/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-16-15-14/h1-10,15H
InChIKeyPVFVCWDIZPNXRY-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.23
Rot. Bonds1

About 3-naphthalen-1-yl-2H-oxazine

3-naphthalen-1-yl-2H-oxazine (PubChem CID 54209924) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2H-oxazine.

Molecular Properties

Compound Name3-naphthalen-1-yl-2H-oxazine
PubChem CID54209924
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-naphthalen-1-yl-2H-oxazine
SMILESC1=CONC(c2cccc3ccccc23)=C1
InChIInChI=1S/C14H11NO/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-16-15-14/h1-10,15H
InChIKeyPVFVCWDIZPNXRY-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-naphthalen-1-yl-2H-oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-2H-oxazine?
The IUPAC name of 3-naphthalen-1-yl-2H-oxazine (CID 54209924) is 3-naphthalen-1-yl-2H-oxazine.
What is the SMILES notation for 3-naphthalen-1-yl-2H-oxazine?
The canonical SMILES for 3-naphthalen-1-yl-2H-oxazine is C1=CONC(c2cccc3ccccc23)=C1.
What is the InChIKey of 3-naphthalen-1-yl-2H-oxazine?
The InChIKey is PVFVCWDIZPNXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-16-15-14/h1-10,15H.
What are the key properties of 3-naphthalen-1-yl-2H-oxazine?
3-naphthalen-1-yl-2H-oxazine has a molecular weight of 209.25 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-2H-oxazine is sourced from PubChem (CID 54209924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).