1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone

C24H25FN2O3 — CID 129457194

About 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone

1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 129457194) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
• PubChem CID: 129457194
• Molecular Formula: C24H25FN2O3
• Molecular Weight: 408.47 g/mol
• Exact Mass: 408.18
• IUPAC Name: 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
• SMILES: Cc1ccc(OCC(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)cc1
• InChI: InChI=1S/C24H25FN2O3/c1-17-7-9-21(10-8-17)29-16-23(28)27-11-3-5-19(15-27)24-26-14-22(30-24)13-18-4-2-6-20(25)12-18/h2,4,6-10,12,14,19H,3,5,11,13,15-16H2,1H3/t19-/m1/s1
• InChIKey: OMYSVSVJGHHLCX-LJQANCHMSA-N
• XLogP: 4.50
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.47
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?

The IUPAC name of 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 129457194) is 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

What is the SMILES notation for 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?

The canonical SMILES for 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)cc1.

What is the InChIKey of 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?

The InChIKey is OMYSVSVJGHHLCX-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-17-7-9-21(10-8-17)29-16-23(28)27-11-3-5-19(15-27)24-26-14-22(30-24)13-18-4-2-6-20(25)12-18/h2,4,6-10,12,14,19H,3,5,11,13,15-16H2,1H3/t19-/m1/s1.

What are the key properties of 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?

1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 408.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 129457194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).