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

C20H11F6N5O2 — CID 177345180

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

3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 177345180) has the molecular formula C20H11F6N5O2 and a molecular weight of 467.33 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 177345180
• Molecular Formula: C20H11F6N5O2
• Molecular Weight: 467.33 g/mol
• Exact Mass: 467.08
• IUPAC Name: 3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: O=C(Nc1nnc(-c2cccc(-n3cc(C(F)(F)F)cn3)c2)o1)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C20H11F6N5O2/c21-19(22,23)13-5-1-3-11(7-13)16(32)28-18-30-29-17(33-18)12-4-2-6-15(8-12)31-10-14(9-27-31)20(24,25)26/h1-10H,(H,28,30,32)
• InChIKey: GHWNACBBLINXNA-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.33
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 177345180) is 3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2cccc(-n3cc(C(F)(F)F)cn3)c2)o1)c1cccc(C(F)(F)F)c1.

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

The InChIKey is GHWNACBBLINXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N5O2/c21-19(22,23)13-5-1-3-11(7-13)16(32)28-18-30-29-17(33-18)12-4-2-6-15(8-12)31-10-14(9-27-31)20(24,25)26/h1-10H,(H,28,30,32).

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

3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 467.33 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 177345180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).