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

C23H26ClN3O2 — CID 10158569

IUPAC3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole
SMILESCN1CCN(CCCOc2ccc(-c3cc(-c4cccc(Cl)c4)no3)cc2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-26-11-13-27(14-12-26)10-3-15-28-21-8-6-18(7-9-21)23-17-22(25-29-23)19-4-2-5-20(24)16-19/h2,4-9,16-17H,3,10-15H2,1H3
InChIKeyURXHZDGTVDUGBO-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.68
Rot. Bonds7

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

3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole (PubChem CID 10158569) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole
PubChem CID10158569
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole
SMILESCN1CCN(CCCOc2ccc(-c3cc(-c4cccc(Cl)c4)no3)cc2)CC1
InChIInChI=1S/C23H26ClN3O2/c1-26-11-13-27(14-12-26)10-3-15-28-21-8-6-18(7-9-21)23-17-22(25-29-23)19-4-2-5-20(24)16-19/h2,4-9,16-17H,3,10-15H2,1H3
InChIKeyURXHZDGTVDUGBO-UHFFFAOYSA-N
XLogP4.68
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole 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-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole (CID 10158569) is 3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole is CN1CCN(CCCOc2ccc(-c3cc(-c4cccc(Cl)c4)no3)cc2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole?
The InChIKey is URXHZDGTVDUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-26-11-13-27(14-12-26)10-3-15-28-21-8-6-18(7-9-21)23-17-22(25-29-23)19-4-2-5-20(24)16-19/h2,4-9,16-17H,3,10-15H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole?
3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole has a molecular weight of 411.93 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole is sourced from PubChem (CID 10158569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).