[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate

C21H20FNO4 — CID 55546213

IUPAC[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H20FNO4/c1-2-25-19-6-4-3-5-15(19)9-12-20(24)26-13-18-14-27-21(23-18)16-7-10-17(22)11-8-16/h3-8,10-11,14H,2,9,12-13H2,1H3
InChIKeyBGBYLFQHXUOJOZ-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.56
Rot. Bonds8

About [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate (PubChem CID 55546213) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
PubChem CID55546213
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H20FNO4/c1-2-25-19-6-4-3-5-15(19)9-12-20(24)26-13-18-14-27-21(23-18)16-7-10-17(22)11-8-16/h3-8,10-11,14H,2,9,12-13H2,1H3
InChIKeyBGBYLFQHXUOJOZ-UHFFFAOYSA-N
XLogP4.56
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate (CID 55546213) is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate?
The InChIKey is BGBYLFQHXUOJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-2-25-19-6-4-3-5-15(19)9-12-20(24)26-13-18-14-27-21(23-18)16-7-10-17(22)11-8-16/h3-8,10-11,14H,2,9,12-13H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate?
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate has a molecular weight of 369.39 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 55546213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).