5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid

C17H17FN4O5 — CID 164693593

About 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid

5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 164693593) has the molecular formula C17H17FN4O5 and a molecular weight of 376.34 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid
• PubChem CID: 164693593
• Molecular Formula: C17H17FN4O5
• Molecular Weight: 376.34 g/mol
• Exact Mass: 376.12
• IUPAC Name: 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid
• SMILES: COc1cc(-c2onc(N3CC4(CNC(=O)N4C)C3)c2C(=O)O)ccc1F
• InChI: InChI=1S/C17H17FN4O5/c1-21-16(25)19-6-17(21)7-22(8-17)14-12(15(23)24)13(27-20-14)9-3-4-10(18)11(5-9)26-2/h3-5H,6-8H2,1-2H3,(H,19,25)(H,23,24)
• InChIKey: YTYRGPFXGFTALG-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 108.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.34
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid?

The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid (CID 164693593) is 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid.

What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid?

The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid is COc1cc(-c2onc(N3CC4(CNC(=O)N4C)C3)c2C(=O)O)ccc1F.

What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid?

The InChIKey is YTYRGPFXGFTALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O5/c1-21-16(25)19-6-17(21)7-22(8-17)14-12(15(23)24)13(27-20-14)9-3-4-10(18)11(5-9)26-2/h3-5H,6-8H2,1-2H3,(H,19,25)(H,23,24).

What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid?

5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 376.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 164693593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).