2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone

C21H19ClF2N4O3 — CID 155950338

IUPAC2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc(F)c(F)c3)no2)CC1
InChIInChI=1S/C21H19ClF2N4O3/c22-15-2-4-16(5-3-15)30-13-20(29)28-9-7-27(8-10-28)12-19-25-21(26-31-19)14-1-6-17(23)18(24)11-14/h1-6,11H,7-10,12-13H2
InChIKeyUAAZZQAKWGNYBH-UHFFFAOYSA-N
MW448.86 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 155950338) has the molecular formula C21H19ClF2N4O3 and a molecular weight of 448.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
PubChem CID155950338
Molecular FormulaC21H19ClF2N4O3
Molecular Weight448.86 g/mol
Exact Mass448.11
IUPAC Name2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc(F)c(F)c3)no2)CC1
InChIInChI=1S/C21H19ClF2N4O3/c22-15-2-4-16(5-3-15)30-13-20(29)28-9-7-27(8-10-28)12-19-25-21(26-31-19)14-1-6-17(23)18(24)11-14/h1-6,11H,7-10,12-13H2
InChIKeyUAAZZQAKWGNYBH-UHFFFAOYSA-N
XLogP3.39
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.86
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-1-[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 53148652
2-(3-chloro-4-fluorophenoxy)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 55560210
3-(4-chlorophenoxy)-1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 55704457
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 30462007
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 55502619
1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78896865
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 39585952
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703500
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 39586227
2-(4-chlorophenyl)sulfonyl-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 24614338
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 37085848
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 47881666

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone (CID 155950338) is 2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc(F)c(F)c3)no2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is UAAZZQAKWGNYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O3/c22-15-2-4-16(5-3-15)30-13-20(29)28-9-7-27(8-10-28)12-19-25-21(26-31-19)14-1-6-17(23)18(24)11-14/h1-6,11H,7-10,12-13H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 448.86 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 155950338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).