3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one

C16H12F2N2O2S — CID 42630781

IUPAC3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCC1(c2cc(F)cc(F)c2)OC(=S)N(Nc2ccccc2)C1=O
InChIInChI=1S/C16H12F2N2O2S/c1-16(10-7-11(17)9-12(18)8-10)14(21)20(15(23)22-16)19-13-5-3-2-4-6-13/h2-9,19H,1H3
InChIKeyFGCCHHHDQIVQKW-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.35
Rot. Bonds3

About 3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one

3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 42630781) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID42630781
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCC1(c2cc(F)cc(F)c2)OC(=S)N(Nc2ccccc2)C1=O
InChIInChI=1S/C16H12F2N2O2S/c1-16(10-7-11(17)9-12(18)8-10)14(21)20(15(23)22-16)19-13-5-3-2-4-6-13/h2-9,19H,1H3
InChIKeyFGCCHHHDQIVQKW-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[[5-(3,5-dichlorophenyl)-5-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-3-yl]amino]phenyl]propanal
CID 143812316
3-anilino-5-(2-fluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione
CID 18960780
5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one
CID 88529083
3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045974
3-(2-bromo-4-fluoroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 56679746
3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 534310
N-[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834390
4-[[5-methyl-2,4-dioxo-5-(4-phenoxyphenyl)-1,3-oxazolidin-3-yl]amino]benzoic acid
CID 56662667
[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833950
3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 102390957
[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid
CID 151984574
(5R)-3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
CID 67801127

Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 42630781) is 3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one is CC1(c2cc(F)cc(F)c2)OC(=S)N(Nc2ccccc2)C1=O.
What is the InChIKey of 3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is FGCCHHHDQIVQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-16(10-7-11(17)9-12(18)8-10)14(21)20(15(23)22-16)19-13-5-3-2-4-6-13/h2-9,19H,1H3.
What are the key properties of 3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one?
3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 334.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 42630781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).