[2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate

C22H22FN3O5 — CID 46788492

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C22H22FN3O5/c1-3-14-6-5-7-15(4-2)20(14)24-18(27)13-30-19(28)12-26-22(29)31-21(25-26)16-8-10-17(23)11-9-16/h5-11H,3-4,12-13H2,1-2H3,(H,24,27)
InChIKeyTZFFTZJIMAXBOL-UHFFFAOYSA-N
MW427.43 g/mol
LogP2.95
Rot. Bonds8

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate (PubChem CID 46788492) has the molecular formula C22H22FN3O5 and a molecular weight of 427.43 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
PubChem CID46788492
Molecular FormulaC22H22FN3O5
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C22H22FN3O5/c1-3-14-6-5-7-15(4-2)20(14)24-18(27)13-30-19(28)12-26-22(29)31-21(25-26)16-8-10-17(23)11-9-16/h5-11H,3-4,12-13H2,1-2H3,(H,24,27)
InChIKeyTZFFTZJIMAXBOL-UHFFFAOYSA-N
XLogP2.95
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 35178773
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721692
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 46608484
(3,3-dimethyl-2-oxobutyl) 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 35178094
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7577738
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578808
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 46608621
(3-methyl-1,2-oxazol-5-yl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 31804849
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578205
(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide
CID 9470551
[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 16575644
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N',N'-dimethylacetohydrazide
CID 9180359

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate (CID 46788492) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate is CCc1cccc(CC)c1NC(=O)COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
The InChIKey is TZFFTZJIMAXBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O5/c1-3-14-6-5-7-15(4-2)20(14)24-18(27)13-30-19(28)12-26-22(29)31-21(25-26)16-8-10-17(23)11-9-16/h5-11H,3-4,12-13H2,1-2H3,(H,24,27).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate has a molecular weight of 427.43 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate is sourced from PubChem (CID 46788492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).