1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone

C22H22ClN3O3 — CID 124996174

About 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone

1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 124996174) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
• PubChem CID: 124996174
• Molecular Formula: C22H22ClN3O3
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.13
• IUPAC Name: 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
• SMILES: O=C(COc1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1
• InChI: InChI=1S/C22H22ClN3O3/c23-18-7-5-16(6-8-18)11-20-13-25-22(29-20)17-3-2-10-26(14-17)21(27)15-28-19-4-1-9-24-12-19/h1,4-9,12-13,17H,2-3,10-11,14-15H2/t17-/m1/s1
• InChIKey: QRGFYFUCZNELLI-QGZVFWFLSA-N
• XLogP: 4.10
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone?

The IUPAC name of 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone (CID 124996174) is 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone.

What is the SMILES notation for 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone?

The canonical SMILES for 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone is O=C(COc1cccnc1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1.

What is the InChIKey of 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone?

The InChIKey is QRGFYFUCZNELLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-18-7-5-16(6-8-18)11-20-13-25-22(29-20)17-3-2-10-26(14-17)21(27)15-28-19-4-1-9-24-12-19/h1,4-9,12-13,17H,2-3,10-11,14-15H2/t17-/m1/s1.

What are the key properties of 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone?

1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 411.89 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 124996174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).