ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate

C13H15NO4 — CID 134999523

IUPACethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(O)CC(c2ccc(C)cc2)=NO1
InChIInChI=1S/C13H15NO4/c1-3-17-12(15)13(16)8-11(14-18-13)10-6-4-9(2)5-7-10/h4-7,16H,3,8H2,1-2H3
InChIKeyWGORUPLVVNAYCQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.37
Rot. Bonds3

About ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate

ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate (PubChem CID 134999523) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate
PubChem CID134999523
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Nameethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(O)CC(c2ccc(C)cc2)=NO1
InChIInChI=1S/C13H15NO4/c1-3-17-12(15)13(16)8-11(14-18-13)10-6-4-9(2)5-7-10/h4-7,16H,3,8H2,1-2H3
InChIKeyWGORUPLVVNAYCQ-UHFFFAOYSA-N
XLogP1.37
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate (CID 134999523) is ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(O)CC(c2ccc(C)cc2)=NO1.
What is the InChIKey of ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate?
The InChIKey is WGORUPLVVNAYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-17-12(15)13(16)8-11(14-18-13)10-6-4-9(2)5-7-10/h4-7,16H,3,8H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate?
ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-3-(4-methylphenyl)-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 134999523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).