1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone

C23H23ClN2O3 — CID 110119758

About 1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone

1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 110119758) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

• Compound Name: 1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
• PubChem CID: 110119758
• Molecular Formula: C23H23ClN2O3
• Molecular Weight: 410.90 g/mol
• Exact Mass: 410.14
• IUPAC Name: 1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
• SMILES: O=C(COc1ccccc1)N1CCCC(c2ncc(Cc3ccccc3Cl)o2)C1
• InChI: InChI=1S/C23H23ClN2O3/c24-21-11-5-4-7-17(21)13-20-14-25-23(29-20)18-8-6-12-26(15-18)22(27)16-28-19-9-2-1-3-10-19/h1-5,7,9-11,14,18H,6,8,12-13,15-16H2
• InChIKey: YMZLJLBOIRVIRC-UHFFFAOYSA-N
• XLogP: 4.70
• 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	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone (CID 110119758) is 1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone.

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

The canonical SMILES for 1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC(c2ncc(Cc3ccccc3Cl)o2)C1.

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

The InChIKey is YMZLJLBOIRVIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c24-21-11-5-4-7-17(21)13-20-14-25-23(29-20)18-8-6-12-26(15-18)22(27)16-28-19-9-2-1-3-10-19/h1-5,7,9-11,14,18H,6,8,12-13,15-16H2.

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

1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 410.90 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110119758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).