4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione

C24H20N2O5S — CID 23352159

IUPAC4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2NC(=O)SC2=O)c2occc12
InChIInChI=1S/C24H20N2O5S/c1-14-18(25-22(31-14)15-5-3-2-4-6-15)10-12-29-20-8-7-16(21-17(20)9-11-30-21)13-19-23(27)32-24(28)26-19/h2-9,11,19H,10,12-13H2,1H3,(H,26,28)
InChIKeyHMRHONIMDFEGNB-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.91
Rot. Bonds7

About 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione

4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 23352159) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione
PubChem CID23352159
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC2NC(=O)SC2=O)c2occc12
InChIInChI=1S/C24H20N2O5S/c1-14-18(25-22(31-14)15-5-3-2-4-6-15)10-12-29-20-8-7-16(21-17(20)9-11-30-21)13-19-23(27)32-24(28)26-19/h2-9,11,19H,10,12-13H2,1H3,(H,26,28)
InChIKeyHMRHONIMDFEGNB-UHFFFAOYSA-N
XLogP4.91
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.91
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

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
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
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
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde
CID 18003567
4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]naphthalen-1-yl]methyl]-1,3-thiazolidine-2,5-dione
CID 23352158
4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione
CID 70285290
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
3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol
CID 22633494
5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 85319247
5-methyl-4-[2-[(7-nitro-1-benzothiophen-4-yl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 15485664
4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione
CID 67655973
(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]-2-propoxypropanoic acid
CID 44591752

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 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) is 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2NC(=O)SC2=O)c2occc12.
What is the InChIKey of 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is HMRHONIMDFEGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-14-18(25-22(31-14)15-5-3-2-4-6-15)10-12-29-20-8-7-16(21-17(20)9-11-30-21)13-19-23(27)32-24(28)26-19/h2-9,11,19H,10,12-13H2,1H3,(H,26,28).
What are the key properties of 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione?
4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 448.50 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-yl]methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 23352159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).