[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone

C25H22FN3O2 — CID 124982795

About [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone

[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 124982795) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone
• PubChem CID: 124982795
• Molecular Formula: C25H22FN3O2
• Molecular Weight: 415.47 g/mol
• Exact Mass: 415.17
• IUPAC Name: [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone
• SMILES: O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1
• InChI: InChI=1S/C25H22FN3O2/c26-19-8-5-6-17(14-19)15-20-16-27-24(31-20)23-10-3-4-13-29(23)25(30)22-12-11-18-7-1-2-9-21(18)28-22/h1-2,5-9,11-12,14,16,23H,3-4,10,13,15H2/t23-/m0/s1
• InChIKey: MZPXMJAKQZUKJA-QHCPKHFHSA-N
• XLogP: 5.32
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.47
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone?

The IUPAC name of [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone (CID 124982795) is [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone.

What is the SMILES notation for [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone?

The canonical SMILES for [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1.

What is the InChIKey of [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone?

The InChIKey is MZPXMJAKQZUKJA-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H22FN3O2/c26-19-8-5-6-17(14-19)15-20-16-27-24(31-20)23-10-3-4-13-29(23)25(30)22-12-11-18-7-1-2-9-21(18)28-22/h1-2,5-9,11-12,14,16,23H,3-4,10,13,15H2/t23-/m0/s1.

What are the key properties of [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone?

[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 415.47 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 124982795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).