3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride

C22H27Cl2N5O2 — CID 56804565

About 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride

3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 56804565) has the molecular formula C22H27Cl2N5O2 and a molecular weight of 464.40 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride
• PubChem CID: 56804565
• Molecular Formula: C22H27Cl2N5O2
• Molecular Weight: 464.40 g/mol
• Exact Mass: 463.15
• IUPAC Name: 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride
• SMILES: CC(C)Cc1noc(CN2CCC3(CC2)CC3c2nc(-c3cccc(Cl)c3)no2)n1.Cl
• InChI: InChI=1S/C22H26ClN5O2.ClH/c1-14(2)10-18-24-19(29-26-18)13-28-8-6-22(7-9-28)12-17(22)21-25-20(27-30-21)15-4-3-5-16(23)11-15;/h3-5,11,14,17H,6-10,12-13H2,1-2H3;1H
• InChIKey: SPSUUCQHTHELHW-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 81.08 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.40
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride?

The IUPAC name of 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride (CID 56804565) is 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride.

What is the SMILES notation for 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride?

The canonical SMILES for 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride is CC(C)Cc1noc(CN2CCC3(CC2)CC3c2nc(-c3cccc(Cl)c3)no2)n1.Cl.

What is the InChIKey of 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride?

The InChIKey is SPSUUCQHTHELHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2.ClH/c1-14(2)10-18-24-19(29-26-18)13-28-8-6-22(7-9-28)12-17(22)21-25-20(27-30-21)15-4-3-5-16(23)11-15;/h3-5,11,14,17H,6-10,12-13H2,1-2H3;1H.

What are the key properties of 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride?

3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 464.40 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-5-[6-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 56804565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).