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

C20H20Cl2N4O — CID 8591039

IUPAC2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESCc1ccc(Cl)cc1N1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H20Cl2N4O/c1-14-2-5-17(22)12-18(14)26-10-8-25(9-11-26)13-19-23-24-20(27-19)15-3-6-16(21)7-4-15/h2-7,12H,8-11,13H2,1H3
InChIKeyQFMSWHYISAVICV-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.67
Rot. Bonds4

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

2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 8591039) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
PubChem CID8591039
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC Name2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESCc1ccc(Cl)cc1N1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H20Cl2N4O/c1-14-2-5-17(22)12-18(14)26-10-8-25(9-11-26)13-19-23-24-20(27-19)15-3-6-16(21)7-4-15/h2-7,12H,8-11,13H2,1H3
InChIKeyQFMSWHYISAVICV-UHFFFAOYSA-N
XLogP4.67
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole (CID 8591039) is 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole is Cc1ccc(Cl)cc1N1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is QFMSWHYISAVICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-14-2-5-17(22)12-18(14)26-10-8-25(9-11-26)13-19-23-24-20(27-19)15-3-6-16(21)7-4-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole has a molecular weight of 403.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 8591039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).