1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone

C17H20N4O2 — CID 171631786

About 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone

1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone (PubChem CID 171631786) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone.

Molecular Properties

• Compound Name: 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
• PubChem CID: 171631786
• Molecular Formula: C17H20N4O2
• Molecular Weight: 312.37 g/mol
• Exact Mass: 312.16
• IUPAC Name: 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
• SMILES: O=C(CNc1nnc(-c2ccccc2)o1)N1CCC2(CC1)CC2
• InChI: InChI=1S/C17H20N4O2/c22-14(21-10-8-17(6-7-17)9-11-21)12-18-16-20-19-15(23-16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,20)
• InChIKey: BEWFFTKYQBMUGG-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.37
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone?

The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone (CID 171631786) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone.

What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone?

The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone is O=C(CNc1nnc(-c2ccccc2)o1)N1CCC2(CC1)CC2.

What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone?

The InChIKey is BEWFFTKYQBMUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-14(21-10-8-17(6-7-17)9-11-21)12-18-16-20-19-15(23-16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,20).

What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone?

1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone has a molecular weight of 312.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone is sourced from PubChem (CID 171631786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).