ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate

C13H15NO5 — CID 85382057

IUPACethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate
SMILESCCOC(=O)C1=[N+]([O-])OC(C)(c2ccccc2)C1O
InChIInChI=1S/C13H15NO5/c1-3-18-12(16)10-11(15)13(2,19-14(10)17)9-7-5-4-6-8-9/h4-8,11,15H,3H2,1-2H3
InChIKeySRYCCENYGKHXHG-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.72
Rot. Bonds3

About ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate

ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate (PubChem CID 85382057) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate
PubChem CID85382057
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Nameethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate
SMILESCCOC(=O)C1=[N+]([O-])OC(C)(c2ccccc2)C1O
InChIInChI=1S/C13H15NO5/c1-3-18-12(16)10-11(15)13(2,19-14(10)17)9-7-5-4-6-8-9/h4-8,11,15H,3H2,1-2H3
InChIKeySRYCCENYGKHXHG-UHFFFAOYSA-N
XLogP0.72
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-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 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate (CID 85382057) is ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate is CCOC(=O)C1=[N+]([O-])OC(C)(c2ccccc2)C1O.
What is the InChIKey of ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate?
The InChIKey is SRYCCENYGKHXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-3-18-12(16)10-11(15)13(2,19-14(10)17)9-7-5-4-6-8-9/h4-8,11,15H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate?
ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-methyl-2-oxido-5-phenyl-4H-1,2-oxazol-2-ium-3-carboxylate is sourced from PubChem (CID 85382057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).