cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone

C18H20Cl2N4O2 — CID 133350736

IUPACcyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1
InChIInChI=1S/C18H20Cl2N4O2/c19-14-9-13(10-15(20)11-14)16-21-18(26-22-16)24-7-5-23(6-8-24)17(25)12-3-1-2-4-12/h9-12H,1-8H2
InChIKeyARBCBEANUXLYII-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.88
Rot. Bonds3

About cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone

cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone (PubChem CID 133350736) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
PubChem CID133350736
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Namecyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1
InChIInChI=1S/C18H20Cl2N4O2/c19-14-9-13(10-15(20)11-14)16-21-18(26-22-16)24-7-5-23(6-8-24)17(25)12-3-1-2-4-12/h9-12H,1-8H2
InChIKeyARBCBEANUXLYII-UHFFFAOYSA-N
XLogP3.88
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 154763907
1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 133351608
N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide
CID 133351214
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 93077111
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 4538482
3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole
CID 133333464
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methanone
CID 20904801
oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 138384199
N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide
CID 133351602
[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53008817
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521
[1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53030318

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone (CID 133350736) is cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1.
What is the InChIKey of cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The InChIKey is ARBCBEANUXLYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c19-14-9-13(10-15(20)11-14)16-21-18(26-22-16)24-7-5-23(6-8-24)17(25)12-3-1-2-4-12/h9-12H,1-8H2.
What are the key properties of cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone has a molecular weight of 395.29 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 133350736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).