N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide

C25H21F3N4O2 — CID 177345247

About N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 177345247) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 177345247
• Molecular Formula: C25H21F3N4O2
• Molecular Weight: 466.46 g/mol
• Exact Mass: 466.16
• IUPAC Name: N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: CN(C)Cc1cccc(-c2cccc(-c3nnc(NC(=O)c4cccc(C(F)(F)F)c4)o3)c2)c1
• InChI: InChI=1S/C25H21F3N4O2/c1-32(2)15-16-6-3-7-17(12-16)18-8-4-10-20(13-18)23-30-31-24(34-23)29-22(33)19-9-5-11-21(14-19)25(26,27)28/h3-14H,15H2,1-2H3,(H,29,31,33)
• InChIKey: KKGQVRLGBFWDBJ-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.46
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (CID 177345247) is N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is CN(C)Cc1cccc(-c2cccc(-c3nnc(NC(=O)c4cccc(C(F)(F)F)c4)o3)c2)c1.

What is the InChIKey of N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is KKGQVRLGBFWDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c1-32(2)15-16-6-3-7-17(12-16)18-8-4-10-20(13-18)23-30-31-24(34-23)29-22(33)19-9-5-11-21(14-19)25(26,27)28/h3-14H,15H2,1-2H3,(H,29,31,33).

What are the key properties of N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 466.46 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 177345247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).