3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one

C12H14N2O2S — CID 13045974

IUPAC3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCN(C)N1C(=O)C(C)(c2ccccc2)OC1=S
InChIInChI=1S/C12H14N2O2S/c1-12(9-7-5-4-6-8-9)10(15)14(13(2)3)11(17)16-12/h4-8H,1-3H3
InChIKeyHNBAUTBWBOMSQM-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.52
Rot. Bonds2

About 3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one

3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 13045974) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID13045974
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCN(C)N1C(=O)C(C)(c2ccccc2)OC1=S
InChIInChI=1S/C12H14N2O2S/c1-12(9-7-5-4-6-8-9)10(15)14(13(2)3)11(17)16-12/h4-8H,1-3H3
InChIKeyHNBAUTBWBOMSQM-UHFFFAOYSA-N
XLogP1.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 13045974) is 3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one is CN(C)N1C(=O)C(C)(c2ccccc2)OC1=S.
What is the InChIKey of 3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is HNBAUTBWBOMSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-12(9-7-5-4-6-8-9)10(15)14(13(2)3)11(17)16-12/h4-8H,1-3H3.
What are the key properties of 3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 250.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 13045974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).