(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

C23H16N2O5S — CID 10812625

IUPAC(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
SMILESCc1oc(-c2ccccc2)nc1C(O)c1cc2cc(/C=C3\SC(=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/h2-11,20,26H,1H3,(H,25,27,28)/b18-10-
InChIKeyCIESGJSDEQIXQC-ZDLGFXPLSA-N
MW432.46 g/mol
LogP4.80
Rot. Bonds4

About (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

(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 (PubChem CID 10812625) has the molecular formula C23H16N2O5S and a molecular weight of 432.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10812625
Molecular FormulaC23H16N2O5S
Molecular Weight432.46 g/mol
Exact Mass432.08
IUPAC Name(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
SMILESCc1oc(-c2ccccc2)nc1C(O)c1cc2cc(/C=C3\SC(=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/h2-11,20,26H,1H3,(H,25,27,28)/b18-10-
InChIKeyCIESGJSDEQIXQC-ZDLGFXPLSA-N
XLogP4.80
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1oc(-c2ccccc2)nc1C(O)c1cc2cc(/C=C3\SC(=O)NC3=O)ccc2o1.
What is the InChIKey of (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?
The InChIKey is CIESGJSDEQIXQC-ZDLGFXPLSA-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/h2-11,20,26H,1H3,(H,25,27,28)/b18-10-.
What are the key properties of (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?
(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 has a molecular weight of 432.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10812625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).