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

C23H23ClN2O4 — CID 124980046

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

1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 124980046) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone
• PubChem CID: 124980046
• Molecular Formula: C23H23ClN2O4
• Molecular Weight: 426.90 g/mol
• Exact Mass: 426.13
• IUPAC Name: 1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone
• SMILES: COc1ccc(OCC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)cc1
• InChI: InChI=1S/C23H23ClN2O4/c1-28-18-7-9-19(10-8-18)29-15-22(27)26-11-3-6-21(26)23-25-14-20(30-23)13-16-4-2-5-17(24)12-16/h2,4-5,7-10,12,14,21H,3,6,11,13,15H2,1H3/t21-/m1/s1
• InChIKey: MGARIDXFWLHLGR-OAQYLSRUSA-N
• XLogP: 4.67
• TPSA: 64.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.90
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone (CID 124980046) is 1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone.

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

The canonical SMILES for 1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)cc1.

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

The InChIKey is MGARIDXFWLHLGR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-28-18-7-9-19(10-8-18)29-15-22(27)26-11-3-6-21(26)23-25-14-20(30-23)13-16-4-2-5-17(24)12-16/h2,4-5,7-10,12,14,21H,3,6,11,13,15H2,1H3/t21-/m1/s1.

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

1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 426.90 g/mol, XLogP of 4.67, 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-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 124980046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).