5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione

C17H16N2O3 — CID 101385697

IUPAC5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione
SMILESCN1OC(=O)N(Cc2ccccc2)C(c2ccccc2)C1=O
InChIInChI=1S/C17H16N2O3/c1-18-16(20)15(14-10-6-3-7-11-14)19(17(21)22-18)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
InChIKeyFVNOISFYVKROKI-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.75
Rot. Bonds3

About 5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione

5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione (PubChem CID 101385697) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione.

Molecular Properties

Compound Name5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione
PubChem CID101385697
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione
SMILESCN1OC(=O)N(Cc2ccccc2)C(c2ccccc2)C1=O
InChIInChI=1S/C17H16N2O3/c1-18-16(20)15(14-10-6-3-7-11-14)19(17(21)22-18)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
InChIKeyFVNOISFYVKROKI-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4,5-diphenyl-6-sulfanylidene-1,2,5-oxadiazinan-3-one
CID 86232326
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
CID 28819549
1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 56684743
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897
(5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 35674628
1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
CID 10544651
1-(2-methylpropyl)-5-phenyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18338637
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione?
The IUPAC name of 5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione (CID 101385697) is 5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione.
What is the SMILES notation for 5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione?
The canonical SMILES for 5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione is CN1OC(=O)N(Cc2ccccc2)C(c2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione?
The InChIKey is FVNOISFYVKROKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-18-16(20)15(14-10-6-3-7-11-14)19(17(21)22-18)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3.
What are the key properties of 5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione?
5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione has a molecular weight of 296.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione is sourced from PubChem (CID 101385697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).