6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C18H19N3O4 — CID 119175001

About 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175001) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
• PubChem CID: 119175001
• Molecular Formula: C18H19N3O4
• Molecular Weight: 341.37 g/mol
• Exact Mass: 341.14
• IUPAC Name: 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
• SMILES: Cc1noc(-c2ccccc2C(=O)N2CCC3(CC2)CC3C(=O)O)n1
• InChI: InChI=1S/C18H19N3O4/c1-11-19-15(25-20-11)12-4-2-3-5-13(12)16(22)21-8-6-18(7-9-21)10-14(18)17(23)24/h2-5,14H,6-10H2,1H3,(H,23,24)
• InChIKey: IAKMBFBVLJDDKR-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 96.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.37
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?

The IUPAC name of 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175001) is 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

What is the SMILES notation for 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?

The canonical SMILES for 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1noc(-c2ccccc2C(=O)N2CCC3(CC2)CC3C(=O)O)n1.

What is the InChIKey of 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?

The InChIKey is IAKMBFBVLJDDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11-19-15(25-20-11)12-4-2-3-5-13(12)16(22)21-8-6-18(7-9-21)10-14(18)17(23)24/h2-5,14H,6-10H2,1H3,(H,23,24).

What are the key properties of 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?

6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).