5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

C10H7NO3S — CID 57124689

IUPAC5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESO=C1NC(=S)OC1=CC=Cc1ccco1
InChIInChI=1S/C10H7NO3S/c12-9-8(14-10(15)11-9)5-1-3-7-4-2-6-13-7/h1-6H,(H,11,12,15)
InChIKeyTWKLEMKKWJNIKA-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.61
Rot. Bonds2

About 5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 57124689) has the molecular formula C10H7NO3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID57124689
Molecular FormulaC10H7NO3S
Molecular Weight221.24 g/mol
Exact Mass221.01
IUPAC Name5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESO=C1NC(=S)OC1=CC=Cc1ccco1
InChIInChI=1S/C10H7NO3S/c12-9-8(14-10(15)11-9)5-1-3-7-4-2-6-13-7/h1-6H,(H,11,12,15)
InChIKeyTWKLEMKKWJNIKA-UHFFFAOYSA-N
XLogP1.61
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one (CID 57124689) is 5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one is O=C1NC(=S)OC1=CC=Cc1ccco1.
What is the InChIKey of 5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is TWKLEMKKWJNIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S/c12-9-8(14-10(15)11-9)5-1-3-7-4-2-6-13-7/h1-6H,(H,11,12,15).
What are the key properties of 5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 221.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 57124689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).