8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C15H24N4O3 — CID 56909362

About 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56909362) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 56909362
• Molecular Formula: C15H24N4O3
• Molecular Weight: 308.38 g/mol
• Exact Mass: 308.18
• IUPAC Name: 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CCCN1CC2(CCN(c3noc(C)n3)CC2)CC1C(=O)O
• InChI: InChI=1S/C15H24N4O3/c1-3-6-19-10-15(9-12(19)13(20)21)4-7-18(8-5-15)14-16-11(2)22-17-14/h12H,3-10H2,1-2H3,(H,20,21)
• InChIKey: JHINVTDXMGJASC-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 82.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.38
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56909362) is 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(c3noc(C)n3)CC2)CC1C(=O)O.

What is the InChIKey of 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is JHINVTDXMGJASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-6-19-10-15(9-12(19)13(20)21)4-7-18(8-5-15)14-16-11(2)22-17-14/h12H,3-10H2,1-2H3,(H,20,21).

What are the key properties of 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56909362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).