5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C18H29N5O3 — CID 70755169

About 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 70755169) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 70755169
• Molecular Formula: C18H29N5O3
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.23
• IUPAC Name: 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CC(C)CCN1CC2(CCCN(Cc3nc(C(N)=O)no3)C2)CCC1=O
• InChI: InChI=1S/C18H29N5O3/c1-13(2)5-9-23-12-18(7-4-15(23)24)6-3-8-22(11-18)10-14-20-17(16(19)25)21-26-14/h13H,3-12H2,1-2H3,(H2,19,25)
• InChIKey: JZFHYOBKXPTIMO-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 105.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 70755169) is 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)CCN1CC2(CCCN(Cc3nc(C(N)=O)no3)C2)CCC1=O.

What is the InChIKey of 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is JZFHYOBKXPTIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-13(2)5-9-23-12-18(7-4-15(23)24)6-3-8-22(11-18)10-14-20-17(16(19)25)21-26-14/h13H,3-12H2,1-2H3,(H2,19,25).

What are the key properties of 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?

5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 70755169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).