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

C23H23ClN2O3 — CID 110121363

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

1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 110121363) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
• PubChem CID: 110121363
• Molecular Formula: C23H23ClN2O3
• Molecular Weight: 410.90 g/mol
• Exact Mass: 410.14
• IUPAC Name: 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
• SMILES: COc1cccc(CC(=O)N2CCCC2c2ncc(Cc3ccccc3Cl)o2)c1
• InChI: InChI=1S/C23H23ClN2O3/c1-28-18-8-4-6-16(12-18)13-22(27)26-11-5-10-21(26)23-25-15-19(29-23)14-17-7-2-3-9-20(17)24/h2-4,6-9,12,15,21H,5,10-11,13-14H2,1H3
• InChIKey: RFIRTXCWHIJCPG-UHFFFAOYSA-N
• XLogP: 4.83
• 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	410.90
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone (CID 110121363) is 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone.

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

The canonical SMILES for 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CCCC2c2ncc(Cc3ccccc3Cl)o2)c1.

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

The InChIKey is RFIRTXCWHIJCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-28-18-8-4-6-16(12-18)13-22(27)26-11-5-10-21(26)23-25-15-19(29-23)14-17-7-2-3-9-20(17)24/h2-4,6-9,12,15,21H,5,10-11,13-14H2,1H3.

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

1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 410.90 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 110121363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).