1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone

C21H26N4O2 — CID 171632084

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone (PubChem CID 171632084) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone.

Molecular Properties

• Compound Name: 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
• PubChem CID: 171632084
• Molecular Formula: C21H26N4O2
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.21
• IUPAC Name: 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
• SMILES: C[C@@]1(c2ccccc2)C[C@@H]1c1nnc(NCC(=O)N2CCC3(CC2)CC3)o1
• InChI: InChI=1S/C21H26N4O2/c1-20(15-5-3-2-4-6-15)13-16(20)18-23-24-19(27-18)22-14-17(26)25-11-9-21(7-8-21)10-12-25/h2-6,16H,7-14H2,1H3,(H,22,24)/t16-,20+/m1/s1
• InChIKey: RGNIRKFUCMCOPC-UZLBHIALSA-N
• XLogP: 3.33
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	3.33
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-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone?

The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone (CID 171632084) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone.

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

The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone is C[C@@]1(c2ccccc2)C[C@@H]1c1nnc(NCC(=O)N2CCC3(CC2)CC3)o1.

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

The InChIKey is RGNIRKFUCMCOPC-UZLBHIALSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-20(15-5-3-2-4-6-15)13-16(20)18-23-24-19(27-18)22-14-17(26)25-11-9-21(7-8-21)10-12-25/h2-6,16H,7-14H2,1H3,(H,22,24)/t16-,20+/m1/s1.

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone has a molecular weight of 366.47 g/mol, XLogP of 3.33, 5 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-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone is sourced from PubChem (CID 171632084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).