5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione

C23H16N2O5S — CID 88623049

IUPAC5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1C(=O)c1cc2cc(CC3SC(=O)NC3=O)ccc2o1
InChIInChI=1S/C23H16N2O5S/c1-12-19(24-22(29-12)14-5-3-2-4-6-14)20(26)17-11-15-9-13(7-8-16(15)30-17)10-18-21(27)25-23(28)31-18/h2-9,11,18H,10H2,1H3,(H,25,27,28)
InChIKeyCKEJYAOUAIORNJ-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.52
Rot. Bonds5

About 5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione

5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 88623049) has the molecular formula C23H16N2O5S and a molecular weight of 432.46 g/mol. Its IUPAC name is 5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID88623049
Molecular FormulaC23H16N2O5S
Molecular Weight432.46 g/mol
Exact Mass432.08
IUPAC Name5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1C(=O)c1cc2cc(CC3SC(=O)NC3=O)ccc2o1
InChIInChI=1S/C23H16N2O5S/c1-12-19(24-22(29-12)14-5-3-2-4-6-14)20(26)17-11-15-9-13(7-8-16(15)30-17)10-18-21(27)25-23(28)31-18/h2-9,11,18H,10H2,1H3,(H,25,27,28)
InChIKeyCKEJYAOUAIORNJ-UHFFFAOYSA-N
XLogP4.52
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.52
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

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-[[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-[[4-[(E)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15751803
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 10497900
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
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
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
carbamoylsulfamoylurea;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 174880221
5-[[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10498189
5-[[2-[(3-chlorophenyl)methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 88622906
5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 159428766

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 88623049) is 5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione is Cc1oc(-c2ccccc2)nc1C(=O)c1cc2cc(CC3SC(=O)NC3=O)ccc2o1.
What is the InChIKey of 5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is CKEJYAOUAIORNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O5S/c1-12-19(24-22(29-12)14-5-3-2-4-6-14)20(26)17-11-15-9-13(7-8-16(15)30-17)10-18-21(27)25-23(28)31-18/h2-9,11,18H,10H2,1H3,(H,25,27,28).
What are the key properties of 5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 432.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 88623049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).