About ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate
ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate (PubChem CID 44553193) has the molecular formula C25H17NO7
and a molecular weight of 443.41 g/mol. Its IUPAC name is ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate.
Molecular Properties
| Compound Name | ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate |
|---|
| PubChem CID | 44553193 |
|---|
| Molecular Formula | C25H17NO7 |
|---|
| Molecular Weight | 443.41 g/mol |
|---|
| Exact Mass | 443.10 |
|---|
| IUPAC Name | ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate |
|---|
| SMILES | CCOC(=O)c1cc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)on1 |
|---|
| InChI | InChI=1S/C25H17NO7/c1-3-30-25(29)16-12-18(33-26-16)22(28)24-20(14-7-5-4-6-8-14)21-17(31-24)10-9-15-13(2)11-19(27)32-23(15)21/h4-12H,3H2,1-2H3 |
|---|
| InChIKey | LYMOVBJLCCFDFU-UHFFFAOYSA-N |
|---|
| XLogP | 4.91 |
|---|
| TPSA | 112.75 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 443.41 |
| LogP ≤ 5 | 4.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'cumarine', 'substructure': 'N/A'} |
|---|
Analyze ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate 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 ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate (CID 44553193) is ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)on1.
What is the InChIKey of ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate?
The InChIKey is LYMOVBJLCCFDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO7/c1-3-30-25(29)16-12-18(33-26-16)22(28)24-20(14-7-5-4-6-8-14)21-17(31-24)10-9-15-13(2)11-19(27)32-23(15)21/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate has a molecular weight of 443.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44553193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).