ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate

C19H14N2O5 — CID 135767061

IUPACethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)C1=Nc2c/c(=C\c3nc(-c4ccccc4)oc3O)oc2=C1
InChIInChI=1S/C19H14N2O5/c1-2-24-18(22)15-10-16-13(20-15)8-12(25-16)9-14-19(23)26-17(21-14)11-6-4-3-5-7-11/h3-10,23H,2H2,1H3/b12-9+
InChIKeyYTLHRPUQPDLRIW-FMIVXFBMSA-N
MW350.33 g/mol
LogP1.90
Rot. Bonds4

About ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate

ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 135767061) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID135767061
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Nameethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)C1=Nc2c/c(=C\c3nc(-c4ccccc4)oc3O)oc2=C1
InChIInChI=1S/C19H14N2O5/c1-2-24-18(22)15-10-16-13(20-15)8-12(25-16)9-14-19(23)26-17(21-14)11-6-4-3-5-7-11/h3-10,23H,2H2,1H3/b12-9+
InChIKeyYTLHRPUQPDLRIW-FMIVXFBMSA-N
XLogP1.90
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

potassium ethyl (Z)-3-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)-2-(indol-1-ide-2-carbonyl)prop-2-enoate
CID 135474695
3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one
CID 136913689
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate
CID 4654429
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
4-[(3-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571302
4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 135420862
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46563552
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate (CID 135767061) is ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)C1=Nc2c/c(=C\c3nc(-c4ccccc4)oc3O)oc2=C1.
What is the InChIKey of ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is YTLHRPUQPDLRIW-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-2-24-18(22)15-10-16-13(20-15)8-12(25-16)9-14-19(23)26-17(21-14)11-6-4-3-5-7-11/h3-10,23H,2H2,1H3/b12-9+.
What are the key properties of ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate?
ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 350.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 135767061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).