N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide

C24H26FN3O2 — CID 74734699

About N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 74734699) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
• PubChem CID: 74734699
• Molecular Formula: C24H26FN3O2
• Molecular Weight: 407.49 g/mol
• Exact Mass: 407.20
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
• SMILES: O=C(CC1CCNCC1Cc1cc(-c2ccccc2)on1)NCc1ccc(F)cc1
• InChI: InChI=1S/C24H26FN3O2/c25-21-8-6-17(7-9-21)15-27-24(29)13-19-10-11-26-16-20(19)12-22-14-23(30-28-22)18-4-2-1-3-5-18/h1-9,14,19-20,26H,10-13,15-16H2,(H,27,29)
• InChIKey: IFFWYKASFAKXGD-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.49
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (CID 74734699) is N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is O=C(CC1CCNCC1Cc1cc(-c2ccccc2)on1)NCc1ccc(F)cc1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?

The InChIKey is IFFWYKASFAKXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-21-8-6-17(7-9-21)15-27-24(29)13-19-10-11-26-16-20(19)12-22-14-23(30-28-22)18-4-2-1-3-5-18/h1-9,14,19-20,26H,10-13,15-16H2,(H,27,29).

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?

N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 407.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 74734699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).