3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole

C22H25ClN4O2 — CID 10295195

IUPAC3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole
SMILESCN1CCN(CCCOc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)CC1
InChIInChI=1S/C22H25ClN4O2/c1-26-12-14-27(15-13-26)11-2-16-28-20-9-5-18(6-10-20)22-24-21(25-29-22)17-3-7-19(23)8-4-17/h3-10H,2,11-16H2,1H3
InChIKeyXJRSTLZTWSTPSI-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.07
Rot. Bonds7

About 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 10295195) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole
PubChem CID10295195
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole
SMILESCN1CCN(CCCOc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)CC1
InChIInChI=1S/C22H25ClN4O2/c1-26-12-14-27(15-13-26)11-2-16-28-20-9-5-18(6-10-20)22-24-21(25-29-22)17-3-7-19(23)8-4-17/h3-10H,2,11-16H2,1H3
InChIKeyXJRSTLZTWSTPSI-UHFFFAOYSA-N
XLogP4.07
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-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 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole (CID 10295195) is 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole is CN1CCN(CCCOc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is XJRSTLZTWSTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-26-12-14-27(15-13-26)11-2-16-28-20-9-5-18(6-10-20)22-24-21(25-29-22)17-3-7-19(23)8-4-17/h3-10H,2,11-16H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 412.92 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 10295195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).