5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one

C17H15NO2S — CID 13045960

IUPAC5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCC1(Cc2ccccc2)OC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C17H15NO2S/c1-17(12-13-8-4-2-5-9-13)15(19)18(16(21)20-17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyGBKMEEJYJXIZMZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.34
Rot. Bonds3

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

5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 13045960) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID13045960
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCC1(Cc2ccccc2)OC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C17H15NO2S/c1-17(12-13-8-4-2-5-9-13)15(19)18(16(21)20-17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyGBKMEEJYJXIZMZ-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.34
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

5,5-dibenzyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 134917365
5-benzyl-5-fluoro-3-phenyl-1,3-oxazolidine-2,4-dione
CID 132574285
5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione
CID 118199478
3-amino-3-benzyl-1-phenylaziridin-2-one
CID 22094809
(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate
CID 155926943
5-benzyl-5-methyl-4-oxofuran-2-carboxylic acid
CID 117000037
5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 132520379
5-(4-benzylphenyl)-3-(4-chlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 87951519
(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
CID 1331361
5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione
CID 16660429
(5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one
CID 11404091
3-benzyl-3,6,7-trimethyl-2-benzofuran-1-one
CID 121005754

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 13045960) is 5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one is CC1(Cc2ccccc2)OC(=S)N(c2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is GBKMEEJYJXIZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-17(12-13-8-4-2-5-9-13)15(19)18(16(21)20-17)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of 5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 297.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 13045960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).