N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

C22H26ClFN4O2 — CID 120648092

About N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (PubChem CID 120648092) has the molecular formula C22H26ClFN4O2 and a molecular weight of 432.93 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
• PubChem CID: 120648092
• Molecular Formula: C22H26ClFN4O2
• Molecular Weight: 432.93 g/mol
• Exact Mass: 432.17
• IUPAC Name: N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
• SMILES: Cc1ccc(-c2noc(CCC(=O)N(CCCN)Cc3ccccc3)n2)cc1F.Cl
• InChI: InChI=1S/C22H25FN4O2.ClH/c1-16-8-9-18(14-19(16)23)22-25-20(29-26-22)10-11-21(28)27(13-5-12-24)15-17-6-3-2-4-7-17;/h2-4,6-9,14H,5,10-13,15,24H2,1H3;1H
• InChIKey: KHXBMUJCPJMSTK-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 85.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.93
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (CID 120648092) is N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is Cc1ccc(-c2noc(CCC(=O)N(CCCN)Cc3ccccc3)n2)cc1F.Cl.

What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

The InChIKey is KHXBMUJCPJMSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2.ClH/c1-16-8-9-18(14-19(16)23)22-25-20(29-26-22)10-11-21(28)27(13-5-12-24)15-17-6-3-2-4-7-17;/h2-4,6-9,14H,5,10-13,15,24H2,1H3;1H.

What are the key properties of N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride has a molecular weight of 432.93 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 120648092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).