5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one

C23H19NO2S — CID 134917365

IUPAC5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESO=C1N(c2ccccc2)C(=S)OC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H19NO2S/c25-21-23(16-18-10-4-1-5-11-18,17-19-12-6-2-7-13-19)26-22(27)24(21)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyJOTMTXJGNWIRHT-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.56
Rot. Bonds5

About 5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one

5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 134917365) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID134917365
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC Name5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESO=C1N(c2ccccc2)C(=S)OC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H19NO2S/c25-21-23(16-18-10-4-1-5-11-18,17-19-12-6-2-7-13-19)26-22(27)24(21)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyJOTMTXJGNWIRHT-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045960
5-benzyl-5-fluoro-3-phenyl-1,3-oxazolidine-2,4-dione
CID 132574285
3-amino-3-benzyl-1-phenylaziridin-2-one
CID 22094809
5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione
CID 118199478
1,3,3-triphenyl-4-sulfanylideneazetidin-2-one
CID 165357462
2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid
CID 19011138
(1R,5S)-1-benzyl-3,7-diphenyl-3-azabicyclo[3.1.1]heptane-2,4,6-trione
CID 11188200
1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one;chloride;hydrate
CID 45114239
1-benzyl-4,7,8,11-tetraphenyl-4,8,11-triazatricyclo[5.2.2.02,6]undecane-3,5,9,10-tetrone
CID 2786314
4,4-dibenzyl-3,3-difluorooxetan-2-one
CID 10039731
1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
CID 22323521
5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione
CID 16660429

Frequently Asked Questions

What is the IUPAC name of 5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 134917365) is 5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one is O=C1N(c2ccccc2)C(=S)OC1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is JOTMTXJGNWIRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2S/c25-21-23(16-18-10-4-1-5-11-18,17-19-12-6-2-7-13-19)26-22(27)24(21)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 373.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 134917365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).