3,4-diphenyl-2H-oxazine

C16H13NO — CID 141073202

IUPAC3,4-diphenyl-2H-oxazine
SMILESC1=CC(c2ccccc2)=C(c2ccccc2)NO1
InChIInChI=1S/C16H13NO/c1-3-7-13(8-4-1)15-11-12-18-17-16(15)14-9-5-2-6-10-14/h1-12,17H
InChIKeyHWTZPJQQVBYBGP-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.60
Rot. Bonds2

About 3,4-diphenyl-2H-oxazine

3,4-diphenyl-2H-oxazine (PubChem CID 141073202) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 3,4-diphenyl-2H-oxazine.

Molecular Properties

Compound Name3,4-diphenyl-2H-oxazine
PubChem CID141073202
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name3,4-diphenyl-2H-oxazine
SMILESC1=CC(c2ccccc2)=C(c2ccccc2)NO1
InChIInChI=1S/C16H13NO/c1-3-7-13(8-4-1)15-11-12-18-17-16(15)14-9-5-2-6-10-14/h1-12,17H
InChIKeyHWTZPJQQVBYBGP-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-2H-oxazine?
The IUPAC name of 3,4-diphenyl-2H-oxazine (CID 141073202) is 3,4-diphenyl-2H-oxazine.
What is the SMILES notation for 3,4-diphenyl-2H-oxazine?
The canonical SMILES for 3,4-diphenyl-2H-oxazine is C1=CC(c2ccccc2)=C(c2ccccc2)NO1.
What is the InChIKey of 3,4-diphenyl-2H-oxazine?
The InChIKey is HWTZPJQQVBYBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-3-7-13(8-4-1)15-11-12-18-17-16(15)14-9-5-2-6-10-14/h1-12,17H.
What are the key properties of 3,4-diphenyl-2H-oxazine?
3,4-diphenyl-2H-oxazine has a molecular weight of 235.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-2H-oxazine is sourced from PubChem (CID 141073202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).