[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

C25H23FN4O2 — CID 124990775

About [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 124990775) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
• PubChem CID: 124990775
• Molecular Formula: C25H23FN4O2
• Molecular Weight: 430.48 g/mol
• Exact Mass: 430.18
• IUPAC Name: [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
• SMILES: O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1
• InChI: InChI=1S/C25H23FN4O2/c26-19-11-9-18(10-12-19)21-15-22(29-28-21)25(31)30-13-5-4-8-23(30)24-27-16-20(32-24)14-17-6-2-1-3-7-17/h1-3,6-7,9-12,15-16,23H,4-5,8,13-14H2,(H,28,29)/t23-/m0/s1
• InChIKey: PEFKLRXIQGYONG-QHCPKHFHSA-N
• XLogP: 5.16
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.48
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
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]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?

The IUPAC name of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 124990775) is [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

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

The canonical SMILES for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1.

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

The InChIKey is PEFKLRXIQGYONG-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23FN4O2/c26-19-11-9-18(10-12-19)21-15-22(29-28-21)25(31)30-13-5-4-8-23(30)24-27-16-20(32-24)14-17-6-2-1-3-7-17/h1-3,6-7,9-12,15-16,23H,4-5,8,13-14H2,(H,28,29)/t23-/m0/s1.

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

[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 430.48 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 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]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 124990775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).