ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate

C12H11NO5 — CID 136741844

IUPACethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(O)on(-c2ccccc2)c1=O
InChIInChI=1S/C12H11NO5/c1-2-17-11(15)9-10(14)13(18-12(9)16)8-6-4-3-5-7-8/h3-7,16H,2H2,1H3
InChIKeyCFFIRSGLEPLURD-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.31
Rot. Bonds3

About ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate

ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 136741844) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate
PubChem CID136741844
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Nameethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(O)on(-c2ccccc2)c1=O
InChIInChI=1S/C12H11NO5/c1-2-17-11(15)9-10(14)13(18-12(9)16)8-6-4-3-5-7-8/h3-7,16H,2H2,1H3
InChIKeyCFFIRSGLEPLURD-UHFFFAOYSA-N
XLogP1.31
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 154243621
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ethyl 5-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,2-diphenylpyrrole-3-carboxylate
CID 134158522
ethyl 2-amino-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxylate
CID 15892491
ethyl 2-methyl-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxylate
CID 90397805
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
diethyl 1-benzoyl-2,5-dimethylpyrrole-3,4-dicarboxylate
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ethyl 2,6-dimethylbenzoate
CID 520807

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate (CID 136741844) is ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(O)on(-c2ccccc2)c1=O.
What is the InChIKey of ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is CFFIRSGLEPLURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-2-17-11(15)9-10(14)13(18-12(9)16)8-6-4-3-5-7-8/h3-7,16H,2H2,1H3.
What are the key properties of ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate?
ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 249.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-3-oxo-2-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 136741844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).