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

C28H26FN3O2 — CID 125000734

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

(6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 125000734) has the molecular formula C28H26FN3O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is (6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 125000734
• Molecular Formula: C28H26FN3O2
• Molecular Weight: 455.53 g/mol
• Exact Mass: 455.20
• IUPAC Name: (6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc(Cc2ccccc2)nc1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1
• InChI: InChI=1S/C28H26FN3O2/c29-24-10-4-8-21(14-24)16-26-18-31-27(34-26)23-9-5-13-32(19-23)28(33)22-11-12-25(30-17-22)15-20-6-2-1-3-7-20/h1-4,6-8,10-12,14,17-18,23H,5,9,13,15-16,19H2/t23-/m1/s1
• InChIKey: RXYIHJPXILCADR-HSZRJFAPSA-N
• XLogP: 5.41
• 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	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 125000734) is (6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc(Cc2ccccc2)nc1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1.

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

The InChIKey is RXYIHJPXILCADR-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H26FN3O2/c29-24-10-4-8-21(14-24)16-26-18-31-27(34-26)23-9-5-13-32(19-23)28(33)22-11-12-25(30-17-22)15-20-6-2-1-3-7-20/h1-4,6-8,10-12,14,17-18,23H,5,9,13,15-16,19H2/t23-/m1/s1.

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

(6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 455.53 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 125000734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).