2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone

C22H20F2N2O3 — CID 125006601

About 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 125006601) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 125006601
• Molecular Formula: C22H20F2N2O3
• Molecular Weight: 398.41 g/mol
• Exact Mass: 398.14
• IUPAC Name: 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: O=C(COc1ccccc1F)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1
• InChI: InChI=1S/C22H20F2N2O3/c23-16-9-7-15(8-10-16)12-17-13-25-22(29-17)19-5-3-11-26(19)21(27)14-28-20-6-2-1-4-18(20)24/h1-2,4,6-10,13,19H,3,5,11-12,14H2/t19-/m0/s1
• InChIKey: UHKRTERBNIBJCC-IBGZPJMESA-N
• XLogP: 4.29
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.41
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone (CID 125006601) is 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone is O=C(COc1ccccc1F)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1.

What is the InChIKey of 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is UHKRTERBNIBJCC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20F2N2O3/c23-16-9-7-15(8-10-16)12-17-13-25-22(29-17)19-5-3-11-26(19)21(27)14-28-20-6-2-1-4-18(20)24/h1-2,4,6-10,13,19H,3,5,11-12,14H2/t19-/m0/s1.

What are the key properties of 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone?

2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 398.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125006601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).