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

C25H16FN3O3 — CID 70941308

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

3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 70941308) has the molecular formula C25H16FN3O3 and a molecular weight of 425.42 g/mol. Its IUPAC name is 3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 70941308
• Molecular Formula: C25H16FN3O3
• Molecular Weight: 425.42 g/mol
• Exact Mass: 425.12
• IUPAC Name: 3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: O=C(Nc1nnc(-c2ccco2)o1)c1cccc(-c2ccc(-c3ccccc3)c(F)c2)c1
• InChI: InChI=1S/C25H16FN3O3/c26-21-15-18(11-12-20(21)16-6-2-1-3-7-16)17-8-4-9-19(14-17)23(30)27-25-29-28-24(32-25)22-10-5-13-31-22/h1-15H,(H,27,29,30)
• InChIKey: WTVPTDVNBCJYNE-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.42
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 70941308) is 3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccco2)o1)c1cccc(-c2ccc(-c3ccccc3)c(F)c2)c1.

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

The InChIKey is WTVPTDVNBCJYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN3O3/c26-21-15-18(11-12-20(21)16-6-2-1-3-7-16)17-8-4-9-19(14-17)23(30)27-25-29-28-24(32-25)22-10-5-13-31-22/h1-15H,(H,27,29,30).

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

3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 425.42 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 70941308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).