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

C22H22FN3O3 — CID 125002431

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

1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 125002431) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
• PubChem CID: 125002431
• Molecular Formula: C22H22FN3O3
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.16
• IUPAC Name: 1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
• SMILES: O=C(COc1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1
• InChI: InChI=1S/C22H22FN3O3/c23-17-6-3-5-16(11-17)12-19-14-25-22(29-19)20-8-1-2-10-26(20)21(27)15-28-18-7-4-9-24-13-18/h3-7,9,11,13-14,20H,1-2,8,10,12,15H2/t20-/m1/s1
• InChIKey: SKGUSZDVHYNZPL-HXUWFJFHSA-N
• XLogP: 3.93
• 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	395.43
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone (CID 125002431) is 1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone.

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

The canonical SMILES for 1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone is O=C(COc1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1.

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

The InChIKey is SKGUSZDVHYNZPL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-17-6-3-5-16(11-17)12-19-14-25-22(29-19)20-8-1-2-10-26(20)21(27)15-28-18-7-4-9-24-13-18/h3-7,9,11,13-14,20H,1-2,8,10,12,15H2/t20-/m1/s1.

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

1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 395.43 g/mol, XLogP of 3.93, 6 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-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 125002431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).