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

C20H12F3N3O3 — CID 142440079

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

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 142440079) has the molecular formula C20H12F3N3O3 and a molecular weight of 399.33 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide
• PubChem CID: 142440079
• Molecular Formula: C20H12F3N3O3
• Molecular Weight: 399.33 g/mol
• Exact Mass: 399.08
• IUPAC Name: N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide
• SMILES: O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C20H12F3N3O3/c21-20(22,23)15-8-2-1-7-14(15)17(27)24-13-6-3-5-12(11-13)18-25-26-19(29-18)16-9-4-10-28-16/h1-11H,(H,24,27)
• InChIKey: RLQRLZLRKNRVQV-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.33
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide (CID 142440079) is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide.

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

The canonical SMILES for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1C(F)(F)F.

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

The InChIKey is RLQRLZLRKNRVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O3/c21-20(22,23)15-8-2-1-7-14(15)17(27)24-13-6-3-5-12(11-13)18-25-26-19(29-18)16-9-4-10-28-16/h1-11H,(H,24,27).

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

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 399.33 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 142440079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).