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

C29H18N2O5S — CID 88622667

IUPAC(5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1C(=O)c1oc2ccc(/C=C3\SC(=O)NC3=O)cc2c1-c1ccccc1
InChIInChI=1S/C29H18N2O5S/c1-16-24(30-28(35-16)19-10-6-3-7-11-19)25(32)26-23(18-8-4-2-5-9-18)20-14-17(12-13-21(20)36-26)15-22-27(33)31-29(34)37-22/h2-15H,1H3,(H,31,33,34)/b22-15-
InChIKeyBIRVLQVPIMHNBY-JCMHNJIXSA-N
MW506.54 g/mol
LogP6.62
Rot. Bonds5

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

(5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 88622667) has the molecular formula C29H18N2O5S and a molecular weight of 506.54 g/mol. Its IUPAC name is (5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID88622667
Molecular FormulaC29H18N2O5S
Molecular Weight506.54 g/mol
Exact Mass506.09
IUPAC Name(5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1C(=O)c1oc2ccc(/C=C3\SC(=O)NC3=O)cc2c1-c1ccccc1
InChIInChI=1S/C29H18N2O5S/c1-16-24(30-28(35-16)19-10-6-3-7-11-19)25(32)26-23(18-8-4-2-5-9-18)20-14-17(12-13-21(20)36-26)15-22-27(33)31-29(34)37-22/h2-15H,1H3,(H,31,33,34)/b22-15-
InChIKeyBIRVLQVPIMHNBY-JCMHNJIXSA-N
XLogP6.62
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.54
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 88622667) is (5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1oc(-c2ccccc2)nc1C(=O)c1oc2ccc(/C=C3\SC(=O)NC3=O)cc2c1-c1ccccc1.
What is the InChIKey of (5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BIRVLQVPIMHNBY-JCMHNJIXSA-N. The full InChI is InChI=1S/C29H18N2O5S/c1-16-24(30-28(35-16)19-10-6-3-7-11-19)25(32)26-23(18-8-4-2-5-9-18)20-14-17(12-13-21(20)36-26)15-22-27(33)31-29(34)37-22/h2-15H,1H3,(H,31,33,34)/b22-15-.
What are the key properties of (5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 506.54 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-3-phenyl-1-benzofuran-5-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 88622667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).