[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone

C28H26FN3O2 — CID 129454479

About [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone

[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone (PubChem CID 129454479) has the molecular formula C28H26FN3O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
• PubChem CID: 129454479
• Molecular Formula: C28H26FN3O2
• Molecular Weight: 455.53 g/mol
• Exact Mass: 455.20
• IUPAC Name: [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
• SMILES: O=C(c1ccc(Cc2ccc(F)cc2)nc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1
• InChI: InChI=1S/C28H26FN3O2/c29-23-12-9-21(10-13-23)16-24-14-11-22(18-30-24)28(33)32-15-5-4-8-26(32)27-31-19-25(34-27)17-20-6-2-1-3-7-20/h1-3,6-7,9-14,18-19,26H,4-5,8,15-17H2/t26-/m0/s1
• InChIKey: DXVWHFSQQLWQRA-SANMLTNESA-N
• XLogP: 5.76
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.53
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone?

The IUPAC name of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone (CID 129454479) is [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone.

What is the SMILES notation for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone?

The canonical SMILES for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone is O=C(c1ccc(Cc2ccc(F)cc2)nc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1.

What is the InChIKey of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone?

The InChIKey is DXVWHFSQQLWQRA-SANMLTNESA-N. The full InChI is InChI=1S/C28H26FN3O2/c29-23-12-9-21(10-13-23)16-24-14-11-22(18-30-24)28(33)32-15-5-4-8-26(32)27-31-19-25(34-27)17-20-6-2-1-3-7-20/h1-3,6-7,9-14,18-19,26H,4-5,8,15-17H2/t26-/m0/s1.

What are the key properties of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone?

[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone has a molecular weight of 455.53 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone is sourced from PubChem (CID 129454479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).