7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide

C19H12F3N3O4 — CID 43972317

About 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide

7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 43972317) has the molecular formula C19H12F3N3O4 and a molecular weight of 403.32 g/mol. Its IUPAC name is 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 43972317
• Molecular Formula: C19H12F3N3O4
• Molecular Weight: 403.32 g/mol
• Exact Mass: 403.08
• IUPAC Name: 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
• SMILES: COc1cccc2cc(C(=O)Nc3nnc(-c4ccc(C(F)(F)F)cc4)o3)oc12
• InChI: InChI=1S/C19H12F3N3O4/c1-27-13-4-2-3-11-9-14(28-15(11)13)16(26)23-18-25-24-17(29-18)10-5-7-12(8-6-10)19(20,21)22/h2-9H,1H3,(H,23,25,26)
• InChIKey: QCFBJHXTQSDZKC-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.32
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?

The IUPAC name of 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide (CID 43972317) is 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3nnc(-c4ccc(C(F)(F)F)cc4)o3)oc12.

What is the InChIKey of 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?

The InChIKey is QCFBJHXTQSDZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O4/c1-27-13-4-2-3-11-9-14(28-15(11)13)16(26)23-18-25-24-17(29-18)10-5-7-12(8-6-10)19(20,21)22/h2-9H,1H3,(H,23,25,26).

What are the key properties of 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?

7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43972317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).