5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C21H20N2O5S — CID 12002101

IUPAC5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)OCC1Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C21H20N2O5S/c1-23-15(12-27-21(23)26)10-13-2-6-16(7-3-13)28-17-8-4-14(5-9-17)11-18-19(24)22-20(25)29-18/h2-9,15,18H,10-12H2,1H3,(H,22,24,25)
InChIKeyZZBJWJVIQJYKPK-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.37
Rot. Bonds6

About 5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 12002101) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID12002101
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)OCC1Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C21H20N2O5S/c1-23-15(12-27-21(23)26)10-13-2-6-16(7-3-13)28-17-8-4-14(5-9-17)11-18-19(24)22-20(25)29-18/h2-9,15,18H,10-12H2,1H3,(H,22,24,25)
InChIKeyZZBJWJVIQJYKPK-UHFFFAOYSA-N
XLogP3.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

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
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]benzaldehyde
CID 59768293
5-[[4-[4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10310674
(2S)-3-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]-2-(methylamino)propanoic acid
CID 87628718
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
4-[[4-[3-fluoro-4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 90689132
[4-[[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenyl] acetate
CID 6976399
5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
ethane;5-[[4-(4-methoxy-2,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 90798505
2-amino-3-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]propanoic acid
CID 10091538
5-[[4-[3-(3,5-dimethoxyphenyl)phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10216720

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 12002101) is 5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CN1C(=O)OCC1Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1.
What is the InChIKey of 5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZZBJWJVIQJYKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-23-15(12-27-21(23)26)10-13-2-6-16(7-3-13)28-17-8-4-14(5-9-17)11-18-19(24)22-20(25)29-18/h2-9,15,18H,10-12H2,1H3,(H,22,24,25).
What are the key properties of 5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 412.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 12002101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).