5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one

C16H14N2O2 — CID 13293995

IUPAC5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one
SMILESO=C1ONC(c2ccccc2)=NC1Cc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16-14(11-12-7-3-1-4-8-12)17-15(18-20-16)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)
InChIKeyKELIYVXSTJQHRA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.11
Rot. Bonds3

About 5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one

5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one (PubChem CID 13293995) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one.

Molecular Properties

Compound Name5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one
PubChem CID13293995
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one
SMILESO=C1ONC(c2ccccc2)=NC1Cc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16-14(11-12-7-3-1-4-8-12)17-15(18-20-16)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)
InChIKeyKELIYVXSTJQHRA-UHFFFAOYSA-N
XLogP2.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one?
The IUPAC name of 5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one (CID 13293995) is 5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one.
What is the SMILES notation for 5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one?
The canonical SMILES for 5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one is O=C1ONC(c2ccccc2)=NC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one?
The InChIKey is KELIYVXSTJQHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16-14(11-12-7-3-1-4-8-12)17-15(18-20-16)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18).
What are the key properties of 5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one?
5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one has a molecular weight of 266.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazin-6-one is sourced from PubChem (CID 13293995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).