1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid

C26H30N2O4 — CID 69172262

About 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid

1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid (PubChem CID 69172262) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid
• PubChem CID: 69172262
• Molecular Formula: C26H30N2O4
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.22
• IUPAC Name: 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid
• SMILES: Cc1ccc(-c2nc(CCOc3cccc(CN4CCCCC4C(=O)O)c3)c(C)o2)cc1
• InChI: InChI=1S/C26H30N2O4/c1-18-9-11-21(12-10-18)25-27-23(19(2)32-25)13-15-31-22-7-5-6-20(16-22)17-28-14-4-3-8-24(28)26(29)30/h5-7,9-12,16,24H,3-4,8,13-15,17H2,1-2H3,(H,29,30)
• InChIKey: WIFITQNMZZQUJO-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 75.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid?

The IUPAC name of 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid (CID 69172262) is 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid.

What is the SMILES notation for 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid?

The canonical SMILES for 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid is Cc1ccc(-c2nc(CCOc3cccc(CN4CCCCC4C(=O)O)c3)c(C)o2)cc1.

What is the InChIKey of 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid?

The InChIKey is WIFITQNMZZQUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-18-9-11-21(12-10-18)25-27-23(19(2)32-25)13-15-31-22-7-5-6-20(16-22)17-28-14-4-3-8-24(28)26(29)30/h5-7,9-12,16,24H,3-4,8,13-15,17H2,1-2H3,(H,29,30).

What are the key properties of 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid?

1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid has a molecular weight of 434.54 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 69172262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).