2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C15H18Cl2N4O — CID 71877507

IUPAC2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC1CN(C)CCN1Cc1nnc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C15H18Cl2N4O/c1-10-8-20(2)6-7-21(10)9-13-18-19-15(22-13)14-11(16)4-3-5-12(14)17/h3-5,10H,6-9H2,1-2H3
InChIKeyOHPNBBPFQIJFMY-UHFFFAOYSA-N
MW341.24 g/mol
LogP3.18
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 71877507) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID71877507
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC1CN(C)CCN1Cc1nnc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C15H18Cl2N4O/c1-10-8-20(2)6-7-21(10)9-13-18-19-15(22-13)14-11(16)4-3-5-12(14)17/h3-5,10H,6-9H2,1-2H3
InChIKeyOHPNBBPFQIJFMY-UHFFFAOYSA-N
XLogP3.18
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 71877507) is 2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is CC1CN(C)CCN1Cc1nnc(-c2c(Cl)cccc2Cl)o1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is OHPNBBPFQIJFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-10-8-20(2)6-7-21(10)9-13-18-19-15(22-13)14-11(16)4-3-5-12(14)17/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 341.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-[(2,4-dimethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71877507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).