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

C17H22N6O2 — CID 171632250

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone (PubChem CID 171632250) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone.

Molecular Properties

• Compound Name: 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
• PubChem CID: 171632250
• Molecular Formula: C17H22N6O2
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.18
• IUPAC Name: 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
• SMILES: O=C(CNc1nnc(C2CC2c2ccn[nH]2)o1)N1CCC2(CC1)CC2
• InChI: InChI=1S/C17H22N6O2/c24-14(23-7-4-17(2-3-17)5-8-23)10-18-16-22-21-15(25-16)12-9-11(12)13-1-6-19-20-13/h1,6,11-12H,2-5,7-10H2,(H,18,22)(H,19,20)
• InChIKey: SMDNLZSXHLKOGQ-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 99.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone (CID 171632250) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone.

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

The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone is O=C(CNc1nnc(C2CC2c2ccn[nH]2)o1)N1CCC2(CC1)CC2.

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

The InChIKey is SMDNLZSXHLKOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-14(23-7-4-17(2-3-17)5-8-23)10-18-16-22-21-15(25-16)12-9-11(12)13-1-6-19-20-13/h1,6,11-12H,2-5,7-10H2,(H,18,22)(H,19,20).

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone has a molecular weight of 342.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone is sourced from PubChem (CID 171632250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).