2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone

C22H22Cl2N4O3 — CID 110658483

IUPAC2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H22Cl2N4O3/c23-17-6-7-19(18(24)14-17)30-15-21(29)28-12-10-27(11-13-28)9-8-20-25-26-22(31-20)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2
InChIKeyUDZPKAREKMBUTF-UHFFFAOYSA-N
MW461.35 g/mol
LogP3.81
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone

2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 110658483) has the molecular formula C22H22Cl2N4O3 and a molecular weight of 461.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID110658483
Molecular FormulaC22H22Cl2N4O3
Molecular Weight461.35 g/mol
Exact Mass460.11
IUPAC Name2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H22Cl2N4O3/c23-17-6-7-19(18(24)14-17)30-15-21(29)28-12-10-27(11-13-28)9-8-20-25-26-22(31-20)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2
InChIKeyUDZPKAREKMBUTF-UHFFFAOYSA-N
XLogP3.81
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichlorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 19119293
2-(2,4-dichlorophenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318447
1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658437
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658449
(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658504
phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110658516
2-(2,4-dichlorophenoxy)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075010
2-methyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658439
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658572
2-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658604

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone (CID 110658483) is 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1Cl)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is UDZPKAREKMBUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3/c23-17-6-7-19(18(24)14-17)30-15-21(29)28-12-10-27(11-13-28)9-8-20-25-26-22(31-20)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 461.35 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110658483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).