5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C23H24N2O3S — CID 139716006

IUPAC5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC1(c2ccccc2)OCN=C1CCCc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C23H24N2O3S/c1-23(18-7-3-2-4-8-18)20(24-15-28-23)9-5-6-16-10-12-17(13-11-16)14-19-21(26)25-22(27)29-19/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,25,26,27)
InChIKeyAIZQGHOWMQCANC-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.25
Rot. Bonds7

About 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 139716006) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID139716006
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC1(c2ccccc2)OCN=C1CCCc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C23H24N2O3S/c1-23(18-7-3-2-4-8-18)20(24-15-28-23)9-5-6-16-10-12-17(13-11-16)14-19-21(26)25-22(27)29-19/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,25,26,27)
InChIKeyAIZQGHOWMQCANC-UHFFFAOYSA-N
XLogP4.25
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]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

5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 173159827
sodium;5-[(2,2-dimethyl-3-phenyl-3,4-dihydrochromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione;hydride
CID 173387212
5-[[4-(3,3-dimethylbutyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 54157642
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 11403417
[4-[[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenyl] acetate
CID 6976399
5-[[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10498189
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide
CID 86749175
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 22418100
5-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 12830996
5-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 584644
[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-phenylcarbamic acid
CID 22341418

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 139716006) is 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CC1(c2ccccc2)OCN=C1CCCc1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is AIZQGHOWMQCANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-23(18-7-3-2-4-8-18)20(24-15-28-23)9-5-6-16-10-12-17(13-11-16)14-19-21(26)25-22(27)29-19/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,25,26,27).
What are the key properties of 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 408.52 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 139716006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).