1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone

C16H19Cl2N5O2 — CID 133351608

IUPAC1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1
InChIInChI=1S/C16H19Cl2N5O2/c1-21(2)10-14(24)22-3-5-23(6-4-22)16-19-15(20-25-16)11-7-12(17)9-13(18)8-11/h7-9H,3-6,10H2,1-2H3
InChIKeyZNUGGIMKLYFHFV-UHFFFAOYSA-N
MW384.27 g/mol
LogP2.25
Rot. Bonds4

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

1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 133351608) has the molecular formula C16H19Cl2N5O2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
PubChem CID133351608
Molecular FormulaC16H19Cl2N5O2
Molecular Weight384.27 g/mol
Exact Mass383.09
IUPAC Name1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1
InChIInChI=1S/C16H19Cl2N5O2/c1-21(2)10-14(24)22-3-5-23(6-4-22)16-19-15(20-25-16)11-7-12(17)9-13(18)8-11/h7-9H,3-6,10H2,1-2H3
InChIKeyZNUGGIMKLYFHFV-UHFFFAOYSA-N
XLogP2.25
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone with MolForge

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Related Compounds

cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 133350736
N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide
CID 133351214
2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
CID 22581258
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 46358436
N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide
CID 133351602
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4,7-triazecan-8-one
CID 167868057
3-(3,5-dichlorophenyl)-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-oxadiazole
CID 133333464
cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 154763907
[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 22581254
3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol
CID 133315358
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 93077111

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone (CID 133351608) is 1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1.
What is the InChIKey of 1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is ZNUGGIMKLYFHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O2/c1-21(2)10-14(24)22-3-5-23(6-4-22)16-19-15(20-25-16)11-7-12(17)9-13(18)8-11/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone?
1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 384.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 133351608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).