3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one

C15H12N2O2S — CID 13045968

IUPAC3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESNN1C(=O)C(c2ccccc2)(c2ccccc2)OC1=S
InChIInChI=1S/C15H12N2O2S/c16-17-13(18)15(19-14(17)20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,16H2
InChIKeyVCJUCHYFLAIDIN-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.95
Rot. Bonds2

About 3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one

3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 13045968) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID13045968
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESNN1C(=O)C(c2ccccc2)(c2ccccc2)OC1=S
InChIInChI=1S/C15H12N2O2S/c16-17-13(18)15(19-14(17)20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,16H2
InChIKeyVCJUCHYFLAIDIN-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 13045968) is 3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one is NN1C(=O)C(c2ccccc2)(c2ccccc2)OC1=S.
What is the InChIKey of 3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is VCJUCHYFLAIDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c16-17-13(18)15(19-14(17)20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,16H2.
What are the key properties of 3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one?
3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 284.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 13045968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).