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

C22H18N2O2S — CID 88529083

IUPAC5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCC1(c2ccccc2)OC(=S)N(N(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C22H18N2O2S/c1-22(17-11-5-2-6-12-17)20(25)24(21(27)26-22)23(18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyCPLZHLJJNKIMGQ-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.80
Rot. Bonds4

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

5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 88529083) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID88529083
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCC1(c2ccccc2)OC(=S)N(N(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C22H18N2O2S/c1-22(17-11-5-2-6-12-17)20(25)24(21(27)26-22)23(18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyCPLZHLJJNKIMGQ-UHFFFAOYSA-N
XLogP4.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045974
3-anilino-5-(3,5-difluorophenyl)-5-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 42630781
(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
CID 129405830
3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045968
(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002
4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 137242028
6-methyl-6-phenyloxane-2,3,5-trione
CID 12840341
3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 151405336
3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 102390957
(5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
CID 76969700
4,6-dimethyl-4-phenyl-1,3-benzodioxin-2-one
CID 86245402
4-(3-methoxypropyl)-2,6-dimethyl-2-phenyl-1,4-benzoxazin-3-one
CID 68845948

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one (CID 88529083) is 5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one is CC1(c2ccccc2)OC(=S)N(N(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is CPLZHLJJNKIMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-22(17-11-5-2-6-12-17)20(25)24(21(27)26-22)23(18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3.
What are the key properties of 5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one?
5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 374.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 88529083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).