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

C20H24N6O2 — CID 171632438

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone (PubChem CID 171632438) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone.

Molecular Properties

• Compound Name: 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
• PubChem CID: 171632438
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
• SMILES: O=C(CNc1nnc(-c2cccc(C3=CCNN3)c2)o1)N1CCC2(CC1)CC2
• InChI: InChI=1S/C20H24N6O2/c27-17(26-10-7-20(5-6-20)8-11-26)13-21-19-25-24-18(28-19)15-3-1-2-14(12-15)16-4-9-22-23-16/h1-4,12,22-23H,5-11,13H2,(H,21,25)
• InChIKey: KRHVTJQNBNJDBP-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 95.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone (CID 171632438) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)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-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone?

The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone is O=C(CNc1nnc(-c2cccc(C3=CCNN3)c2)o1)N1CCC2(CC1)CC2.

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

The InChIKey is KRHVTJQNBNJDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-17(26-10-7-20(5-6-20)8-11-26)13-21-19-25-24-18(28-19)15-3-1-2-14(12-15)16-4-9-22-23-16/h1-4,12,22-23H,5-11,13H2,(H,21,25).

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone has a molecular weight of 380.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone is sourced from PubChem (CID 171632438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).