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

C13H15NO5 — CID 134999647

IUPACethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(O)CC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C13H15NO5/c1-3-18-12(15)13(16)8-11(14-19-13)9-4-6-10(17-2)7-5-9/h4-7,16H,3,8H2,1-2H3
InChIKeyATXAOHXIURLBAI-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.07
Rot. Bonds4

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

ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate (PubChem CID 134999647) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate
PubChem CID134999647
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Nameethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(O)CC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C13H15NO5/c1-3-18-12(15)13(16)8-11(14-19-13)9-4-6-10(17-2)7-5-9/h4-7,16H,3,8H2,1-2H3
InChIKeyATXAOHXIURLBAI-UHFFFAOYSA-N
XLogP1.07
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate (CID 134999647) is ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(O)CC(c2ccc(OC)cc2)=NO1.
What is the InChIKey of ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate?
The InChIKey is ATXAOHXIURLBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-3-18-12(15)13(16)8-11(14-19-13)9-4-6-10(17-2)7-5-9/h4-7,16H,3,8H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate?
ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-3-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 134999647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).