1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid

C19H23N3O5 — CID 119176152

About 1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid

1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid (PubChem CID 119176152) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid
• PubChem CID: 119176152
• Molecular Formula: C19H23N3O5
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.16
• IUPAC Name: 1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid
• SMILES: CCOc1ccc(-c2noc(CCC(=O)N3CCCCC3C(=O)O)n2)cc1
• InChI: InChI=1S/C19H23N3O5/c1-2-26-14-8-6-13(7-9-14)18-20-16(27-21-18)10-11-17(23)22-12-4-3-5-15(22)19(24)25/h6-9,15H,2-5,10-12H2,1H3,(H,24,25)
• InChIKey: FZFFCQKOZGLNMD-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 105.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid (CID 119176152) is 1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid.

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

The canonical SMILES for 1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid is CCOc1ccc(-c2noc(CCC(=O)N3CCCCC3C(=O)O)n2)cc1.

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

The InChIKey is FZFFCQKOZGLNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-2-26-14-8-6-13(7-9-14)18-20-16(27-21-18)10-11-17(23)22-12-4-3-5-15(22)19(24)25/h6-9,15H,2-5,10-12H2,1H3,(H,24,25).

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

1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).