2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

C22H25ClN4O3 — CID 55381888

IUPAC2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1OC
InChIInChI=1S/C22H25ClN4O3/c1-28-19-8-3-16(13-20(19)29-2)14-26-9-11-27(12-10-26)15-21-24-25-22(30-21)17-4-6-18(23)7-5-17/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyGEQSUQCVTXRYBT-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.72
Rot. Bonds7

About 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 55381888) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID55381888
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1OC
InChIInChI=1S/C22H25ClN4O3/c1-28-19-8-3-16(13-20(19)29-2)14-26-9-11-27(12-10-26)15-21-24-25-22(30-21)17-4-6-18(23)7-5-17/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyGEQSUQCVTXRYBT-UHFFFAOYSA-N
XLogP3.72
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

3-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30729741
2-(4-chlorophenyl)-5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9126836
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 31374350
2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 8591039
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 8997340
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 39458040
2-(4-chlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8541889
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
2-(4-chlorophenyl)-5-(1,4-diazepan-1-ylmethyl)-1,3,4-oxadiazole
CID 43168675

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 55381888) is 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is COc1ccc(CN2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is GEQSUQCVTXRYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-28-19-8-3-16(13-20(19)29-2)14-26-9-11-27(12-10-26)15-21-24-25-22(30-21)17-4-6-18(23)7-5-17/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 428.92 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 55381888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).