2,5-diphenyloxazine

C16H13NO — CID 178088498

IUPAC2,5-diphenyloxazine
SMILESC1=CN(c2ccccc2)OC=C1c1ccccc1
InChIInChI=1S/C16H13NO/c1-3-7-14(8-4-1)15-11-12-17(18-13-15)16-9-5-2-6-10-16/h1-13H
InChIKeyPFFSIQJHGYUJIP-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.99
Rot. Bonds2

About 2,5-diphenyloxazine

2,5-diphenyloxazine (PubChem CID 178088498) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2,5-diphenyloxazine.

Molecular Properties

Compound Name2,5-diphenyloxazine
PubChem CID178088498
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2,5-diphenyloxazine
SMILESC1=CN(c2ccccc2)OC=C1c1ccccc1
InChIInChI=1S/C16H13NO/c1-3-7-14(8-4-1)15-11-12-17(18-13-15)16-9-5-2-6-10-16/h1-13H
InChIKeyPFFSIQJHGYUJIP-UHFFFAOYSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyloxazine?
The IUPAC name of 2,5-diphenyloxazine (CID 178088498) is 2,5-diphenyloxazine.
What is the SMILES notation for 2,5-diphenyloxazine?
The canonical SMILES for 2,5-diphenyloxazine is C1=CN(c2ccccc2)OC=C1c1ccccc1.
What is the InChIKey of 2,5-diphenyloxazine?
The InChIKey is PFFSIQJHGYUJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-3-7-14(8-4-1)15-11-12-17(18-13-15)16-9-5-2-6-10-16/h1-13H.
What are the key properties of 2,5-diphenyloxazine?
2,5-diphenyloxazine has a molecular weight of 235.29 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyloxazine is sourced from PubChem (CID 178088498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).