1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H25N3O5 — CID 72866055

About 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72866055) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 72866055
• Molecular Formula: C18H25N3O5
• Molecular Weight: 363.41 g/mol
• Exact Mass: 363.18
• IUPAC Name: 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: CC(C)Cc1cc(C(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)no1
• InChI: InChI=1S/C18H25N3O5/c1-11(2)8-12-9-14(19-26-12)16(23)21-6-4-18(5-7-21)13(17(24)25)10-15(22)20(18)3/h9,11,13H,4-8,10H2,1-3H3,(H,24,25)
• InChIKey: SKTOFXSTQFAQCU-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 103.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.41
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72866055) is 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CC(C)Cc1cc(C(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)no1.

What is the InChIKey of 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is SKTOFXSTQFAQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-11(2)8-12-9-14(19-26-12)16(23)21-6-4-18(5-7-21)13(17(24)25)10-15(22)20(18)3/h9,11,13H,4-8,10H2,1-3H3,(H,24,25).

What are the key properties of 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72866055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).