4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid

C17H18FN3O5 — CID 119216238

About 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid

4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid (PubChem CID 119216238) has the molecular formula C17H18FN3O5 and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid
• PubChem CID: 119216238
• Molecular Formula: C17H18FN3O5
• Molecular Weight: 363.35 g/mol
• Exact Mass: 363.12
• IUPAC Name: 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid
• SMILES: Cc1cc(-c2noc(CCC(=O)N3CCOCC3C(=O)O)n2)ccc1F
• InChI: InChI=1S/C17H18FN3O5/c1-10-8-11(2-3-12(10)18)16-19-14(26-20-16)4-5-15(22)21-6-7-25-9-13(21)17(23)24/h2-3,8,13H,4-7,9H2,1H3,(H,23,24)
• InChIKey: QXTAYNDXFQADAB-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 105.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.35
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid?

The IUPAC name of 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid (CID 119216238) is 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid.

What is the SMILES notation for 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid?

The canonical SMILES for 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid is Cc1cc(-c2noc(CCC(=O)N3CCOCC3C(=O)O)n2)ccc1F.

What is the InChIKey of 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid?

The InChIKey is QXTAYNDXFQADAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O5/c1-10-8-11(2-3-12(10)18)16-19-14(26-20-16)4-5-15(22)21-6-7-25-9-13(21)17(23)24/h2-3,8,13H,4-7,9H2,1H3,(H,23,24).

What are the key properties of 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid?

4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid has a molecular weight of 363.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).