[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate

C20H17FN2O6 — CID 46608621

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SMILESCCOc1ccc(C(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1
InChIInChI=1S/C20H17FN2O6/c1-2-27-16-9-5-13(6-10-16)17(24)12-28-18(25)11-23-20(26)29-19(22-23)14-3-7-15(21)8-4-14/h3-10H,2,11-12H2,1H3
InChIKeyPKAFEZYIGOGUHN-UHFFFAOYSA-N
MW400.36 g/mol
LogP2.47
Rot. Bonds8

About [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate

[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate (PubChem CID 46608621) has the molecular formula C20H17FN2O6 and a molecular weight of 400.36 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
PubChem CID46608621
Molecular FormulaC20H17FN2O6
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SMILESCCOc1ccc(C(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1
InChIInChI=1S/C20H17FN2O6/c1-2-27-16-9-5-13(6-10-16)17(24)12-28-18(25)11-23-20(26)29-19(22-23)14-3-7-15(21)8-4-14/h3-10H,2,11-12H2,1H3
InChIKeyPKAFEZYIGOGUHN-UHFFFAOYSA-N
XLogP2.47
TPSA100.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9040319
(3,3-dimethyl-2-oxobutyl) 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 35178094
phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578667
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 35178773
5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 38841795
[2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 46788492
5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one
CID 46638792
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 34549545
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 55553373
(3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 31804849
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 46625086
[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 55423726

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate (CID 46608621) is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate is CCOc1ccc(C(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The InChIKey is PKAFEZYIGOGUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O6/c1-2-27-16-9-5-13(6-10-16)17(24)12-28-18(25)11-23-20(26)29-19(22-23)14-3-7-15(21)8-4-14/h3-10H,2,11-12H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate has a molecular weight of 400.36 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate is sourced from PubChem (CID 46608621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).