8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one

C18H28N4O2 — CID 70713952

About 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one

8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70713952) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70713952
• Molecular Formula: C18H28N4O2
• Molecular Weight: 332.45 g/mol
• Exact Mass: 332.22
• IUPAC Name: 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: CC(C)N1CC2(CCCN(Cc3nnc(C4CC4)o3)C2)CCC1=O
• InChI: InChI=1S/C18H28N4O2/c1-13(2)22-12-18(8-6-16(22)23)7-3-9-21(11-18)10-15-19-20-17(24-15)14-4-5-14/h13-14H,3-12H2,1-2H3
• InChIKey: HMOBYFSIGQMHLI-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.45
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 70713952) is 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

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

The canonical SMILES for 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one is CC(C)N1CC2(CCCN(Cc3nnc(C4CC4)o3)C2)CCC1=O.

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

The InChIKey is HMOBYFSIGQMHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)22-12-18(8-6-16(22)23)7-3-9-21(11-18)10-15-19-20-17(24-15)14-4-5-14/h13-14H,3-12H2,1-2H3.

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

8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70713952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).