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

C21H20ClFN4O3 — CID 78896865

IUPAC1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C21H20ClFN4O3/c22-16-3-1-15(2-4-16)21-25-24-19(30-21)13-26-9-11-27(12-10-26)20(28)14-29-18-7-5-17(23)6-8-18/h1-8H,9-14H2
InChIKeyVAEBGHUFNKLXBK-UHFFFAOYSA-N
MW430.87 g/mol
LogP3.25
Rot. Bonds6

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

1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 78896865) has the molecular formula C21H20ClFN4O3 and a molecular weight of 430.87 g/mol. Its IUPAC name is 1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID78896865
Molecular FormulaC21H20ClFN4O3
Molecular Weight430.87 g/mol
Exact Mass430.12
IUPAC Name1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C21H20ClFN4O3/c22-16-3-1-15(2-4-16)21-25-24-19(30-21)13-26-9-11-27(12-10-26)20(28)14-29-18-7-5-17(23)6-8-18/h1-8H,9-14H2
InChIKeyVAEBGHUFNKLXBK-UHFFFAOYSA-N
XLogP3.25
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 71989109
2-(4-chlorophenoxy)-1-[4-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 155950338
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 33218328
2-(4-chlorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52988489
2-(4-chlorophenoxy)-1-[4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 53148652
2-(4-fluorophenoxy)-1-[4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 112826219
1-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 86895568
1-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride
CID 120751085
2-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164879
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877266
2-(4-fluorophenoxy)-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 78877405
2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 18271596

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 78896865) is 1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone is O=C(COc1ccc(F)cc1)N1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is VAEBGHUFNKLXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O3/c22-16-3-1-15(2-4-16)21-25-24-19(30-21)13-26-9-11-27(12-10-26)20(28)14-29-18-7-5-17(23)6-8-18/h1-8H,9-14H2.
What are the key properties of 1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 430.87 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 78896865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).