4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide

C26H32F3N5O3 — CID 167496726

About 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide

4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 167496726) has the molecular formula C26H32F3N5O3 and a molecular weight of 519.57 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
• PubChem CID: 167496726
• Molecular Formula: C26H32F3N5O3
• Molecular Weight: 519.57 g/mol
• Exact Mass: 519.25
• IUPAC Name: 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
• SMILES: CN1N=C(c2ccc(CN(C(=O)N3CCN(CC(C)(C)O)CC3)c3ccccc3)cc2)OC1C(F)(F)F
• InChI: InChI=1S/C26H32F3N5O3/c1-25(2,36)18-32-13-15-33(16-14-32)24(35)34(21-7-5-4-6-8-21)17-19-9-11-20(12-10-19)22-30-31(3)23(37-22)26(27,28)29/h4-12,23,36H,13-18H2,1-3H3
• InChIKey: RFRDXPHQIOIRGN-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 71.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.57
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide?

The IUPAC name of 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide (CID 167496726) is 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide.

What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide?

The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide is CN1N=C(c2ccc(CN(C(=O)N3CCN(CC(C)(C)O)CC3)c3ccccc3)cc2)OC1C(F)(F)F.

What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide?

The InChIKey is RFRDXPHQIOIRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O3/c1-25(2,36)18-32-13-15-33(16-14-32)24(35)34(21-7-5-4-6-8-21)17-19-9-11-20(12-10-19)22-30-31(3)23(37-22)26(27,28)29/h4-12,23,36H,13-18H2,1-3H3.

What are the key properties of 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide?

4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 519.57 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-hydroxy-2-methylpropyl)-N-[[4-[3-methyl-2-(trifluoromethyl)-2H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 167496726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).