5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione

C25H21N3O4S — CID 15230440

IUPAC5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2cccnc12
InChIInChI=1S/C25H21N3O4S/c1-15-19(27-24(32-15)16-6-3-2-4-7-16)11-13-31-20-10-9-17(18-8-5-12-26-22(18)20)14-21-23(29)28-25(30)33-21/h2-10,12,21H,11,13-14H2,1H3,(H,28,29,30)
InChIKeyGXJHRQQHFGYVPS-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.71
Rot. Bonds7

About 5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione

5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 15230440) has the molecular formula C25H21N3O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is 5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID15230440
Molecular FormulaC25H21N3O4S
Molecular Weight459.53 g/mol
Exact Mass459.13
IUPAC Name5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2cccnc12
InChIInChI=1S/C25H21N3O4S/c1-15-19(27-24(32-15)16-6-3-2-4-7-16)11-13-31-20-10-9-17(18-8-5-12-26-22(18)20)14-21-23(29)28-25(30)33-21/h2-10,12,21H,11,13-14H2,1H3,(H,28,29,30)
InChIKeyGXJHRQQHFGYVPS-UHFFFAOYSA-N
XLogP4.71
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10280122
5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 59977660
5-[[4-[2-[2-(3,5-dimethyl-4-phosphanyloxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 59768061
4-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]isoquinolin-5-yl]methyl]-1,3-thiazolidine-2,5-dione
CID 23352142
4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]isoquinolin-1-yl]methyl]-1,3-thiazolidine-2,5-dione
CID 23352161
5-[[4-[(E)-N-hydroxy-C-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]carbonimidoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14456685
5-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzothiophen-2-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 139728340
sodium;hydride;4-[[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]methyl]-1,3-thiazolidine-2,5-dione
CID 173257733
5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 72731611
N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 15751813
4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione
CID 23352159
5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid;ethane
CID 142911098

Frequently Asked Questions

What is the IUPAC name of 5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 15230440) is 5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2cccnc12.
What is the InChIKey of 5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is GXJHRQQHFGYVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S/c1-15-19(27-24(32-15)16-6-3-2-4-7-16)11-13-31-20-10-9-17(18-8-5-12-26-22(18)20)14-21-23(29)28-25(30)33-21/h2-10,12,21H,11,13-14H2,1H3,(H,28,29,30).
What are the key properties of 5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 459.53 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 15230440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).