N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C₂₂H₂₃ClFN₅O₂ — CID 16566612

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 16566612) has the molecular formula C₂₂H₂₃ClFN₅O₂ and a molecular weight of 443.91 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 16566612
• Molecular Formula: C₂₂H₂₃ClFN₅O₂
• Molecular Weight: 443.91 g/mol
• Exact Mass: 443.15
• IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1
• InChI: InChI=1S/C22H23ClFN5O2/c1-28-10-12-29(13-11-28)19-7-4-16(23)14-18(19)25-20(30)8-9-21-26-22(27-31-21)15-2-5-17(24)6-3-15/h2-7,14H,8-13H2,1H3,(H,25,30)
• InChIKey: AIWJQVAMNWXKAR-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.91
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 16566612) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1.

What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is AIWJQVAMNWXKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O2/c1-28-10-12-29(13-11-28)19-7-4-16(23)14-18(19)25-20(30)8-9-21-26-22(27-31-21)15-2-5-17(24)6-3-15/h2-7,14H,8-13H2,1H3,(H,25,30).

What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 443.91 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 16566612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 16566612 — identifiers, structure, computed properties (public domain)

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