N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide

C23H25F4N5O3 — CID 53311654

About N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide

N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide (PubChem CID 53311654) has the molecular formula C23H25F4N5O3 and a molecular weight of 495.48 g/mol. Its IUPAC name is N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide.

Molecular Properties

• Compound Name: N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
• PubChem CID: 53311654
• Molecular Formula: C23H25F4N5O3
• Molecular Weight: 495.48 g/mol
• Exact Mass: 495.19
• IUPAC Name: N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
• SMILES: CN1CCC(CNC(=O)CCCc2noc(C(F)(F)F)n2)(c2coc(-c3ccc(F)cc3)n2)CC1
• InChI: InChI=1S/C23H25F4N5O3/c1-32-11-9-22(10-12-32,17-13-34-20(29-17)15-5-7-16(24)8-6-15)14-28-19(33)4-2-3-18-30-21(35-31-18)23(25,26)27/h5-8,13H,2-4,9-12,14H2,1H3,(H,28,33)
• InChIKey: HARSKGDAVSHQLX-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 97.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.48
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?

The IUPAC name of N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide (CID 53311654) is N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide.

What is the SMILES notation for N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?

The canonical SMILES for N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide is CN1CCC(CNC(=O)CCCc2noc(C(F)(F)F)n2)(c2coc(-c3ccc(F)cc3)n2)CC1.

What is the InChIKey of N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?

The InChIKey is HARSKGDAVSHQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N5O3/c1-32-11-9-22(10-12-32,17-13-34-20(29-17)15-5-7-16(24)8-6-15)14-28-19(33)4-2-3-18-30-21(35-31-18)23(25,26)27/h5-8,13H,2-4,9-12,14H2,1H3,(H,28,33).

What are the key properties of N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?

N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide has a molecular weight of 495.48 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide is sourced from PubChem (CID 53311654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).