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

C24H25FN2O4 — CID 124961639

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

1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 124961639) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
• PubChem CID: 124961639
• Molecular Formula: C24H25FN2O4
• Molecular Weight: 424.47 g/mol
• Exact Mass: 424.18
• IUPAC Name: 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
• SMILES: COc1ccc(OCC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1
• InChI: InChI=1S/C24H25FN2O4/c1-29-19-9-11-20(12-10-19)30-16-23(28)27-13-3-2-4-22(27)24-26-15-21(31-24)14-17-5-7-18(25)8-6-17/h5-12,15,22H,2-4,13-14,16H2,1H3/t22-/m1/s1
• InChIKey: HDAHQNAAGQQSFD-JOCHJYFZSA-N
• XLogP: 4.55
• TPSA: 64.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.47
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone (CID 124961639) is 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone.

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

The canonical SMILES for 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1.

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

The InChIKey is HDAHQNAAGQQSFD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-29-19-9-11-20(12-10-19)30-16-23(28)27-13-3-2-4-22(27)24-26-15-21(31-24)14-17-5-7-18(25)8-6-17/h5-12,15,22H,2-4,13-14,16H2,1H3/t22-/m1/s1.

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

1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 424.47 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 124961639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).