2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one

C16H14N2O2 — CID 15516809

IUPAC2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one
SMILESO=C1COC(Cc2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16-12-20-15(11-13-7-3-1-4-8-13)17-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyNGZWUSVUGWZITH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.61
Rot. Bonds3

About 2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one

2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one (PubChem CID 15516809) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one.

Molecular Properties

Compound Name2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one
PubChem CID15516809
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one
SMILESO=C1COC(Cc2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16-12-20-15(11-13-7-3-1-4-8-13)17-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyNGZWUSVUGWZITH-UHFFFAOYSA-N
XLogP2.61
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one?
The IUPAC name of 2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one (CID 15516809) is 2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one.
What is the SMILES notation for 2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one?
The canonical SMILES for 2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one is O=C1COC(Cc2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one?
The InChIKey is NGZWUSVUGWZITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16-12-20-15(11-13-7-3-1-4-8-13)17-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one?
2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one has a molecular weight of 266.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-phenyl-1,3,4-oxadiazin-5-one is sourced from PubChem (CID 15516809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).