5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one

C15H9FN2O3S — CID 75599506

IUPAC5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESO=C1C(=Cc2ccc(O)c(F)c2)OC(=S)N1c1cccnc1
InChIInChI=1S/C15H9FN2O3S/c16-11-6-9(3-4-12(11)19)7-13-14(20)18(15(22)21-13)10-2-1-5-17-8-10/h1-8,19H
InChIKeyGLIDTGIMXUIIJL-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.62
Rot. Bonds2

About 5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one

5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 75599506) has the molecular formula C15H9FN2O3S and a molecular weight of 316.31 g/mol. Its IUPAC name is 5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID75599506
Molecular FormulaC15H9FN2O3S
Molecular Weight316.31 g/mol
Exact Mass316.03
IUPAC Name5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESO=C1C(=Cc2ccc(O)c(F)c2)OC(=S)N1c1cccnc1
InChIInChI=1S/C15H9FN2O3S/c16-11-6-9(3-4-12(11)19)7-13-14(20)18(15(22)21-13)10-2-1-5-17-8-10/h1-8,19H
InChIKeyGLIDTGIMXUIIJL-UHFFFAOYSA-N
XLogP2.62
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 75599506) is 5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one is O=C1C(=Cc2ccc(O)c(F)c2)OC(=S)N1c1cccnc1.
What is the InChIKey of 5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is GLIDTGIMXUIIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3S/c16-11-6-9(3-4-12(11)19)7-13-14(20)18(15(22)21-13)10-2-1-5-17-8-10/h1-8,19H.
What are the key properties of 5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one?
5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 316.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-hydroxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 75599506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).