N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride

C22H27ClN4O2 — CID 120859791

About N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride

N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride (PubChem CID 120859791) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride
• PubChem CID: 120859791
• Molecular Formula: C22H27ClN4O2
• Molecular Weight: 414.94 g/mol
• Exact Mass: 414.18
• IUPAC Name: N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride
• SMILES: CC(C)C(NC(=O)Cc1ccc2ccccc2c1)c1nc(C2(N)CCC2)no1.Cl
• InChI: InChI=1S/C22H26N4O2.ClH/c1-14(2)19(20-25-21(26-28-20)22(23)10-5-11-22)24-18(27)13-15-8-9-16-6-3-4-7-17(16)12-15;/h3-4,6-9,12,14,19H,5,10-11,13,23H2,1-2H3,(H,24,27);1H
• InChIKey: HOCCCHICWOZZFU-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 94.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.94
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride?

The IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride (CID 120859791) is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride.

What is the SMILES notation for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride?

The canonical SMILES for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride is CC(C)C(NC(=O)Cc1ccc2ccccc2c1)c1nc(C2(N)CCC2)no1.Cl.

What is the InChIKey of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride?

The InChIKey is HOCCCHICWOZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.ClH/c1-14(2)19(20-25-21(26-28-20)22(23)10-5-11-22)24-18(27)13-15-8-9-16-6-3-4-7-17(16)12-15;/h3-4,6-9,12,14,19H,5,10-11,13,23H2,1-2H3,(H,24,27);1H.

What are the key properties of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride?

N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-naphthalen-2-ylacetamide;hydrochloride is sourced from PubChem (CID 120859791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).