5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione

C24H20N2O5S — CID 10503629

IUPAC5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1-c1nc(C(O)c2cc3cc(CC4SC(=O)NC4=O)ccc3o2)c(C)o1
InChIInChI=1S/C24H20N2O5S/c1-12-5-3-4-6-16(12)23-25-20(13(2)30-23)21(27)18-11-15-9-14(7-8-17(15)31-18)10-19-22(28)26-24(29)32-19/h3-9,11,19,21,27H,10H2,1-2H3,(H,26,28,29)
InChIKeyFICWQVJDEVWGOH-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.68
Rot. Bonds5

About 5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione

5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10503629) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10503629
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1-c1nc(C(O)c2cc3cc(CC4SC(=O)NC4=O)ccc3o2)c(C)o1
InChIInChI=1S/C24H20N2O5S/c1-12-5-3-4-6-16(12)23-25-20(13(2)30-23)21(27)18-11-15-9-14(7-8-17(15)31-18)10-19-22(28)26-24(29)32-19/h3-9,11,19,21,27H,10H2,1-2H3,(H,26,28,29)
InChIKeyFICWQVJDEVWGOH-UHFFFAOYSA-N
XLogP4.68
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-hydroxymethyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10503799
5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 88623049
(5Z)-5-[[2-[hydroxy-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10812625
5-[[2-[(3-chlorophenyl)methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 88622906
5-[[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10498189
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
5-[[2-[(4-aminophenyl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 11792363
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
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-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10810309
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
5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethylsulfonyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15751810

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 10503629) is 5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione is Cc1ccccc1-c1nc(C(O)c2cc3cc(CC4SC(=O)NC4=O)ccc3o2)c(C)o1.
What is the InChIKey of 5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FICWQVJDEVWGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-12-5-3-4-6-16(12)23-25-20(13(2)30-23)21(27)18-11-15-9-14(7-8-17(15)31-18)10-19-22(28)26-24(29)32-19/h3-9,11,19,21,27H,10H2,1-2H3,(H,26,28,29).
What are the key properties of 5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 448.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[hydroxy-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10503629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).