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

C22H22Cl2N4O2 — CID 43063170

IUPAC(2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc1
InChIInChI=1S/C22H22Cl2N4O2/c1-14-3-5-16(6-4-14)20-25-21(30-26-20)15(2)27-9-11-28(12-10-27)22(29)18-8-7-17(23)13-19(18)24/h3-8,13,15H,9-12H2,1-2H3
InChIKeyVXWNPDUVFSUXFA-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.87
Rot. Bonds4

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

(2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone (PubChem CID 43063170) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
PubChem CID43063170
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC Name(2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc1
InChIInChI=1S/C22H22Cl2N4O2/c1-14-3-5-16(6-4-14)20-25-21(30-26-20)15(2)27-9-11-28(12-10-27)22(29)18-8-7-17(23)13-19(18)24/h3-8,13,15H,9-12H2,1-2H3
InChIKeyVXWNPDUVFSUXFA-UHFFFAOYSA-N
XLogP4.87
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
(2-aminophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946676
(3-chloro-4,5-dimethoxyphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073655
methyl 4-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carboxylate
CID 78865009
(2,3-dichlorophenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46482802
(3,5-dimethoxy-4-methylphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073653
[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 43063165
4-[4-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 43073642
2-amino-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855482
1-methyl-4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]quinolin-2-one
CID 55829532
methyl 3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]benzoate
CID 55830701
N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55636741

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone (CID 43063170) is (2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone is Cc1ccc(-c2noc(C(C)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?
The InChIKey is VXWNPDUVFSUXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c1-14-3-5-16(6-4-14)20-25-21(30-26-20)15(2)27-9-11-28(12-10-27)22(29)18-8-7-17(23)13-19(18)24/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of (2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone has a molecular weight of 445.35 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 43063170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).