N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C20H20FN3O5 — CID 3750282

About N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3750282) has the molecular formula C20H20FN3O5 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 3750282
• Molecular Formula: C20H20FN3O5
• Molecular Weight: 401.39 g/mol
• Exact Mass: 401.14
• IUPAC Name: N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: COc1cc(-c2noc(CCC(=O)Nc3ccccc3F)n2)cc(OC)c1OC
• InChI: InChI=1S/C20H20FN3O5/c1-26-15-10-12(11-16(27-2)19(15)28-3)20-23-18(29-24-20)9-8-17(25)22-14-7-5-4-6-13(14)21/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
• InChIKey: VLKYLNNHQUTJFM-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 95.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.39
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3750282) is N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

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

The canonical SMILES for N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1cc(-c2noc(CCC(=O)Nc3ccccc3F)n2)cc(OC)c1OC.

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

The InChIKey is VLKYLNNHQUTJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5/c1-26-15-10-12(11-16(27-2)19(15)28-3)20-23-18(29-24-20)9-8-17(25)22-14-7-5-4-6-13(14)21/h4-7,10-11H,8-9H2,1-3H3,(H,22,25).

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

N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 401.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3750282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).