8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H25N5O2 — CID 70770124

About 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70770124) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70770124
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: CCc1nc(N2CCCC3(CCC(=O)N(Cc4ccccn4)C3)C2)no1
• InChI: InChI=1S/C19H25N5O2/c1-2-16-21-18(22-26-16)23-11-5-8-19(13-23)9-7-17(25)24(14-19)12-15-6-3-4-10-20-15/h3-4,6,10H,2,5,7-9,11-14H2,1H3
• InChIKey: NFNGSIRXYOABEK-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 75.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70770124) is 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is CCc1nc(N2CCCC3(CCC(=O)N(Cc4ccccn4)C3)C2)no1.

What is the InChIKey of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is NFNGSIRXYOABEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-16-21-18(22-26-16)23-11-5-8-19(13-23)9-7-17(25)24(14-19)12-15-6-3-4-10-20-15/h3-4,6,10H,2,5,7-9,11-14H2,1H3.

What are the key properties of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 355.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70770124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).