ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate

C12H11NO4 — CID 2758854

IUPACethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(O)cc2)n1
InChIInChI=1S/C12H11NO4/c1-2-16-12(15)10-7-17-11(13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
InChIKeyXILWQVZWGWQRNU-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.22
Rot. Bonds3

About ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate

ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 2758854) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID2758854
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Nameethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(O)cc2)n1
InChIInChI=1S/C12H11NO4/c1-2-16-12(15)10-7-17-11(13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
InChIKeyXILWQVZWGWQRNU-UHFFFAOYSA-N
XLogP2.22
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate (CID 2758854) is ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2ccc(O)cc2)n1.
What is the InChIKey of ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is XILWQVZWGWQRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-2-16-12(15)10-7-17-11(13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3.
What are the key properties of ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate?
ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 233.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 2758854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).