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

C23H23FN2O3 — CID 110121360

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

1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 110121360) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
• PubChem CID: 110121360
• Molecular Formula: C23H23FN2O3
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.17
• IUPAC Name: 1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
• SMILES: COc1cccc(CC(=O)N2CCCC2c2ncc(Cc3ccc(F)cc3)o2)c1
• InChI: InChI=1S/C23H23FN2O3/c1-28-19-5-2-4-17(13-19)14-22(27)26-11-3-6-21(26)23-25-15-20(29-23)12-16-7-9-18(24)10-8-16/h2,4-5,7-10,13,15,21H,3,6,11-12,14H2,1H3
• InChIKey: QOCOPMVWBFOZTN-UHFFFAOYSA-N
• XLogP: 4.32
• 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	394.45
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone (CID 110121360) is 1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone.

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

The canonical SMILES for 1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CCCC2c2ncc(Cc3ccc(F)cc3)o2)c1.

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

The InChIKey is QOCOPMVWBFOZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-28-19-5-2-4-17(13-19)14-22(27)26-11-3-6-21(26)23-25-15-20(29-23)12-16-7-9-18(24)10-8-16/h2,4-5,7-10,13,15,21H,3,6,11-12,14H2,1H3.

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

1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 394.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 110121360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).