3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide

C20H20FN3O3 — CID 110615884

About 3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide

3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide (PubChem CID 110615884) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide
• PubChem CID: 110615884
• Molecular Formula: C20H20FN3O3
• Molecular Weight: 369.40 g/mol
• Exact Mass: 369.15
• IUPAC Name: 3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide
• SMILES: COc1cccc(-c2nnc(CNC(=O)C(C)Cc3ccccc3F)o2)c1
• InChI: InChI=1S/C20H20FN3O3/c1-13(10-14-6-3-4-9-17(14)21)19(25)22-12-18-23-24-20(27-18)15-7-5-8-16(11-15)26-2/h3-9,11,13H,10,12H2,1-2H3,(H,22,25)
• InChIKey: IFKNRDGIRPBTAG-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.40
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide (CID 110615884) is 3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide.

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

The canonical SMILES for 3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide is COc1cccc(-c2nnc(CNC(=O)C(C)Cc3ccccc3F)o2)c1.

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

The InChIKey is IFKNRDGIRPBTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13(10-14-6-3-4-9-17(14)21)19(25)22-12-18-23-24-20(27-18)15-7-5-8-16(11-15)26-2/h3-9,11,13H,10,12H2,1-2H3,(H,22,25).

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

3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide has a molecular weight of 369.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 110615884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).