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

C13H13NO4 — CID 22831688

IUPACethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1cnoc1-c1ccccc1OC
InChIInChI=1S/C13H13NO4/c1-3-17-13(15)10-8-14-18-12(10)9-6-4-5-7-11(9)16-2/h4-8H,3H2,1-2H3
InChIKeyYCSFJDYSLXQQIL-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.53
Rot. Bonds4

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

ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate (PubChem CID 22831688) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
PubChem CID22831688
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Nameethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1cnoc1-c1ccccc1OC
InChIInChI=1S/C13H13NO4/c1-3-17-13(15)10-8-14-18-12(10)9-6-4-5-7-11(9)16-2/h4-8H,3H2,1-2H3
InChIKeyYCSFJDYSLXQQIL-UHFFFAOYSA-N
XLogP2.53
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 22831692
ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288104
2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82285402
ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517774
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
ethyl 5-ethyl-1,2-oxazole-4-carboxylate
CID 14787239
diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate
CID 101470287
ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
CID 162662540
5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82291793
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide
CID 154772535

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate (CID 22831688) is ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1cnoc1-c1ccccc1OC.
What is the InChIKey of ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate?
The InChIKey is YCSFJDYSLXQQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-17-13(15)10-8-14-18-12(10)9-6-4-5-7-11(9)16-2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate?
ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 22831688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).