3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one

C16H16N2O2 — CID 10492110

IUPAC3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one
SMILESO=C1N(Cc2ccccc2)COCN1c1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16-17(11-14-7-3-1-4-8-14)12-20-13-18(16)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyKGPDXALUFSYITH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.06
Rot. Bonds3

About 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one

3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one (PubChem CID 10492110) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one
PubChem CID10492110
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one
SMILESO=C1N(Cc2ccccc2)COCN1c1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16-17(11-14-7-3-1-4-8-14)12-20-13-18(16)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyKGPDXALUFSYITH-UHFFFAOYSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(4-bromophenyl)imidazolidin-2-one
CID 118239025
3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one
CID 57028493
(E)-3-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 71811463
4-benzyl-1-phenyl-1,2,4-triazinan-3-one
CID 10587904
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
4-benzyl-1,4-oxazepan-3-one
CID 46318286
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
3-[(4-aminophenyl)methyl]-1,3-oxazolidin-4-one
CID 70025917
5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one
CID 132522925
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
3-(2-oxo-3-phenylimidazolidin-1-yl)propanal
CID 84786113

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one?
The IUPAC name of 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one (CID 10492110) is 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one is O=C1N(Cc2ccccc2)COCN1c1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one?
The InChIKey is KGPDXALUFSYITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16-17(11-14-7-3-1-4-8-14)12-20-13-18(16)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one?
3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one has a molecular weight of 268.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 10492110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).