2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole

C23H27ClN6O — CID 53012019

IUPAC2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCN1CCC(N2CCN(c3ncccc3-c3nnc(-c4ccc(Cl)cc4)o3)CC2)CC1
InChIInChI=1S/C23H27ClN6O/c1-28-11-8-19(9-12-28)29-13-15-30(16-14-29)21-20(3-2-10-25-21)23-27-26-22(31-23)17-4-6-18(24)7-5-17/h2-7,10,19H,8-9,11-16H2,1H3
InChIKeyXBTZXUULVMUUBA-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.67
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 53012019) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID53012019
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC Name2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCN1CCC(N2CCN(c3ncccc3-c3nnc(-c4ccc(Cl)cc4)o3)CC2)CC1
InChIInChI=1S/C23H27ClN6O/c1-28-11-8-19(9-12-28)29-13-15-30(16-14-29)21-20(3-2-10-25-21)23-27-26-22(31-23)17-4-6-18(24)7-5-17/h2-7,10,19H,8-9,11-16H2,1H3
InChIKeyXBTZXUULVMUUBA-UHFFFAOYSA-N
XLogP3.67
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole (CID 53012019) is 2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole is CN1CCC(N2CCN(c3ncccc3-c3nnc(-c4ccc(Cl)cc4)o3)CC2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is XBTZXUULVMUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/c1-28-11-8-19(9-12-28)29-13-15-30(16-14-29)21-20(3-2-10-25-21)23-27-26-22(31-23)17-4-6-18(24)7-5-17/h2-7,10,19H,8-9,11-16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 438.96 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53012019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).