(5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

C19H13NO3S — CID 2187239

IUPAC(5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc3c(c2)-c2ccccc2C3=O)OC1=S
InChIInChI=1S/C19H13NO3S/c1-2-20-18(22)16(23-19(20)24)10-11-7-8-14-15(9-11)12-5-3-4-6-13(12)17(14)21/h3-10H,2H2,1H3/b16-10+
InChIKeyVUIMHDDCWNNXIY-MHWRWJLKSA-N
MW335.38 g/mol
LogP3.40
Rot. Bonds2

About (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

(5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 2187239) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID2187239
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name(5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc3c(c2)-c2ccccc2C3=O)OC1=S
InChIInChI=1S/C19H13NO3S/c1-2-20-18(22)16(23-19(20)24)10-11-7-8-14-15(9-11)12-5-3-4-6-13(12)17(14)21/h3-10H,2H2,1H3/b16-10+
InChIKeyVUIMHDDCWNNXIY-MHWRWJLKSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one (CID 2187239) is (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one is CCN1C(=O)/C(=C\c2ccc3c(c2)-c2ccccc2C3=O)OC1=S.
What is the InChIKey of (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is VUIMHDDCWNNXIY-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H13NO3S/c1-2-20-18(22)16(23-19(20)24)10-11-7-8-14-15(9-11)12-5-3-4-6-13(12)17(14)21/h3-10H,2H2,1H3/b16-10+.
What are the key properties of (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
(5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 335.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 2187239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).