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

C18H22Cl2N4O — CID 47523586

IUPAC2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCN(C4CCCC4)CC3)o2)c(Cl)c1
InChIInChI=1S/C18H22Cl2N4O/c19-13-5-6-15(16(20)11-13)18-22-21-17(25-18)12-23-7-9-24(10-8-23)14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2
InChIKeyOJCKNGSAOIUDQR-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.10
Rot. Bonds4

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

2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 47523586) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID47523586
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCN(C4CCCC4)CC3)o2)c(Cl)c1
InChIInChI=1S/C18H22Cl2N4O/c19-13-5-6-15(16(20)11-13)18-22-21-17(25-18)12-23-7-9-24(10-8-23)14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2
InChIKeyOJCKNGSAOIUDQR-UHFFFAOYSA-N
XLogP4.10
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (CID 47523586) is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(CN3CCN(C4CCCC4)CC3)o2)c(Cl)c1.
What is the InChIKey of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is OJCKNGSAOIUDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c19-13-5-6-15(16(20)11-13)18-22-21-17(25-18)12-23-7-9-24(10-8-23)14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2.
What are the key properties of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole has a molecular weight of 381.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 47523586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).