8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one

C22H28N4O2 — CID 72905529

About 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one

8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72905529) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 72905529
• Molecular Formula: C22H28N4O2
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.22
• IUPAC Name: 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: CCc1noc(CN2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)n1
• InChI: InChI=1S/C22H28N4O2/c1-2-19-23-20(28-24-19)16-25-13-10-22(11-14-25)15-21(27)26(17-22)12-6-9-18-7-4-3-5-8-18/h3-9H,2,10-17H2,1H3/b9-6+
• InChIKey: LXGXALZUFORARP-RMKNXTFCSA-N
• XLogP: 3.16
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72905529) is 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one is CCc1noc(CN2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)n1.

What is the InChIKey of 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is LXGXALZUFORARP-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-19-23-20(28-24-19)16-25-13-10-22(11-14-25)15-21(27)26(17-22)12-6-9-18-7-4-3-5-8-18/h3-9H,2,10-17H2,1H3/b9-6+.

What are the key properties of 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 380.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72905529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).