4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione

C23H18N2O5S — CID 70285290

IUPAC4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCc1oc(-c2ccccc2)nc1COc1ccc2coc(CC3NC(=O)SC3=O)c2c1
InChIInChI=1S/C23H18N2O5S/c1-13-19(24-21(30-13)14-5-3-2-4-6-14)12-28-16-8-7-15-11-29-20(17(15)9-16)10-18-22(26)31-23(27)25-18/h2-9,11,18H,10,12H2,1H3,(H,25,27)
InChIKeyIGMWKHLYSNZCBU-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.87
Rot. Bonds6

About 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione

4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 70285290) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione
PubChem CID70285290
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC Name4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCc1oc(-c2ccccc2)nc1COc1ccc2coc(CC3NC(=O)SC3=O)c2c1
InChIInChI=1S/C23H18N2O5S/c1-13-19(24-21(30-13)14-5-3-2-4-6-14)12-28-16-8-7-15-11-29-20(17(15)9-16)10-18-22(26)31-23(27)25-18/h2-9,11,18H,10,12H2,1H3,(H,25,27)
InChIKeyIGMWKHLYSNZCBU-UHFFFAOYSA-N
XLogP4.87
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.87
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-[[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-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole
CID 70283586
4-methylidene-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]-1,3-thiazolidine-2,5-dione
CID 67665157
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
3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid
CID 70283163
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
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-[[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
5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione
CID 70282530
5-methyl-4-[(3-nitroquinolin-7-yl)oxymethyl]-2-phenyl-1,3-oxazole
CID 21469326
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 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) is 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione is Cc1oc(-c2ccccc2)nc1COc1ccc2coc(CC3NC(=O)SC3=O)c2c1.
What is the InChIKey of 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is IGMWKHLYSNZCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-13-19(24-21(30-13)14-5-3-2-4-6-14)12-28-16-8-7-15-11-29-20(17(15)9-16)10-18-22(26)31-23(27)25-18/h2-9,11,18H,10,12H2,1H3,(H,25,27).
What are the key properties of 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione?
4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 434.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 70285290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).