N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C24H20FN3O3 — CID 86885344

About N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 86885344) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 86885344
• Molecular Formula: C24H20FN3O3
• Molecular Weight: 417.44 g/mol
• Exact Mass: 417.15
• IUPAC Name: N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: Cc1ccc(-c2nnc(CCC(=O)Nc3cc(F)ccc3Oc3ccccc3)o2)cc1
• InChI: InChI=1S/C24H20FN3O3/c1-16-7-9-17(10-8-16)24-28-27-23(31-24)14-13-22(29)26-20-15-18(25)11-12-21(20)30-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,26,29)
• InChIKey: WWQIOEGXAQIARQ-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.44
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 86885344) is N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

What is the SMILES notation for N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The canonical SMILES for N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)Nc3cc(F)ccc3Oc3ccccc3)o2)cc1.

What is the InChIKey of N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The InChIKey is WWQIOEGXAQIARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-16-7-9-17(10-8-16)24-28-27-23(31-24)14-13-22(29)26-20-15-18(25)11-12-21(20)30-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,26,29).

What are the key properties of N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 417.44 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 86885344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).