(5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione

C22H19FN2O5S — CID 12002269

IUPAC(5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)OCC1Cc1ccc(Oc2ccc(/C=C3\SC(=O)NC3=O)c(F)c2)cc1
InChIInChI=1S/C22H19FN2O5S/c1-2-25-15(12-29-22(25)28)9-13-3-6-16(7-4-13)30-17-8-5-14(18(23)11-17)10-19-20(26)24-21(27)31-19/h3-8,10-11,15H,2,9,12H2,1H3,(H,24,26,27)/b19-10-
InChIKeyDWNGRAFSOKIJFF-GRSHGNNSSA-N
MW442.47 g/mol
LogP4.33
Rot. Bonds6

About (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 12002269) has the molecular formula C22H19FN2O5S and a molecular weight of 442.47 g/mol. Its IUPAC name is (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID12002269
Molecular FormulaC22H19FN2O5S
Molecular Weight442.47 g/mol
Exact Mass442.10
IUPAC Name(5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN1C(=O)OCC1Cc1ccc(Oc2ccc(/C=C3\SC(=O)NC3=O)c(F)c2)cc1
InChIInChI=1S/C22H19FN2O5S/c1-2-25-15(12-29-22(25)28)9-13-3-6-16(7-4-13)30-17-8-5-14(18(23)11-17)10-19-20(26)24-21(27)31-19/h3-8,10-11,15H,2,9,12H2,1H3,(H,24,26,27)/b19-10-
InChIKeyDWNGRAFSOKIJFF-GRSHGNNSSA-N
XLogP4.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

4-[[4-[3-chloro-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]methyl]-3-ethyl-1,3-oxazolidin-2-one
CID 59608636
3-ethyl-4-[[4-[2-fluoro-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
CID 73175113
(5E)-5-[[4-[4-[(4-methyl-5-oxomorpholin-3-yl)methyl]phenoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 11993432
2-[(5E)-5-[[3-chloro-4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 12002431
3-ethyl-4-[[4-[2-methoxy-4-[(2-oxo-1,3-dihydroindol-3-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
CID 12002166
5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 12002101
5-[(2-chloro-4-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 141153634
4-[[4-[3-chloro-4-[(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 69050043
(5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 56679983
2-[5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 91312986
4-[[4-[2-fluoro-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 59608601
N-[[(5S)-3-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173257560

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 12002269) is (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione is CCN1C(=O)OCC1Cc1ccc(Oc2ccc(/C=C3\SC(=O)NC3=O)c(F)c2)cc1.
What is the InChIKey of (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DWNGRAFSOKIJFF-GRSHGNNSSA-N. The full InChI is InChI=1S/C22H19FN2O5S/c1-2-25-15(12-29-22(25)28)9-13-3-6-16(7-4-13)30-17-8-5-14(18(23)11-17)10-19-20(26)24-21(27)31-19/h3-8,10-11,15H,2,9,12H2,1H3,(H,24,26,27)/b19-10-.
What are the key properties of (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 442.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[4-[(3-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]-2-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 12002269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).