2,4-diphenyl-1,3,4-oxadiazin-5-one

C15H12N2O2 — CID 3090607

IUPAC2,4-diphenyl-1,3,4-oxadiazin-5-one
SMILESO=C1COC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-14-11-19-15(12-7-3-1-4-8-12)16-17(14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyJGDXZSAXNNEXNE-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.41
Rot. Bonds2

About 2,4-diphenyl-1,3,4-oxadiazin-5-one

2,4-diphenyl-1,3,4-oxadiazin-5-one (PubChem CID 3090607) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,4-diphenyl-1,3,4-oxadiazin-5-one.

Molecular Properties

Compound Name2,4-diphenyl-1,3,4-oxadiazin-5-one
PubChem CID3090607
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2,4-diphenyl-1,3,4-oxadiazin-5-one
SMILESO=C1COC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-14-11-19-15(12-7-3-1-4-8-12)16-17(14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyJGDXZSAXNNEXNE-UHFFFAOYSA-N
XLogP2.41
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1,3,4-oxadiazin-5-one?
The IUPAC name of 2,4-diphenyl-1,3,4-oxadiazin-5-one (CID 3090607) is 2,4-diphenyl-1,3,4-oxadiazin-5-one.
What is the SMILES notation for 2,4-diphenyl-1,3,4-oxadiazin-5-one?
The canonical SMILES for 2,4-diphenyl-1,3,4-oxadiazin-5-one is O=C1COC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 2,4-diphenyl-1,3,4-oxadiazin-5-one?
The InChIKey is JGDXZSAXNNEXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-11-19-15(12-7-3-1-4-8-12)16-17(14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2,4-diphenyl-1,3,4-oxadiazin-5-one?
2,4-diphenyl-1,3,4-oxadiazin-5-one has a molecular weight of 252.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1,3,4-oxadiazin-5-one is sourced from PubChem (CID 3090607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).