2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride

C21H23ClFN5O2 — CID 120960370

About 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride

2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride (PubChem CID 120960370) has the molecular formula C21H23ClFN5O2 and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride
• PubChem CID: 120960370
• Molecular Formula: C21H23ClFN5O2
• Molecular Weight: 431.90 g/mol
• Exact Mass: 431.15
• IUPAC Name: 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride
• SMILES: Cc1ccc(-c2nc(C3CNCCN3C)no2)cc1NC(=O)c1ccccc1F.Cl
• InChI: InChI=1S/C21H22FN5O2.ClH/c1-13-7-8-14(11-17(13)24-20(28)15-5-3-4-6-16(15)22)21-25-19(26-29-21)18-12-23-9-10-27(18)2;/h3-8,11,18,23H,9-10,12H2,1-2H3,(H,24,28);1H
• InChIKey: NARJKPNBMSRDPV-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 83.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.90
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride?

The IUPAC name of 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride (CID 120960370) is 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride.

What is the SMILES notation for 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride?

The canonical SMILES for 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride is Cc1ccc(-c2nc(C3CNCCN3C)no2)cc1NC(=O)c1ccccc1F.Cl.

What is the InChIKey of 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride?

The InChIKey is NARJKPNBMSRDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2.ClH/c1-13-7-8-14(11-17(13)24-20(28)15-5-3-4-6-16(15)22)21-25-19(26-29-21)18-12-23-9-10-27(18)2;/h3-8,11,18,23H,9-10,12H2,1-2H3,(H,24,28);1H.

What are the key properties of 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride?

2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride has a molecular weight of 431.90 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 120960370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).