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

C19H19FN4O2 — CID 86822664

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

3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 86822664) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide
• PubChem CID: 86822664
• Molecular Formula: C19H19FN4O2
• Molecular Weight: 354.39 g/mol
• Exact Mass: 354.15
• IUPAC Name: 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide
• SMILES: Cc1ccc(-c2noc(CCC(=O)N(C)Cc3cccnc3)n2)cc1F
• InChI: InChI=1S/C19H19FN4O2/c1-13-5-6-15(10-16(13)20)19-22-17(26-23-19)7-8-18(25)24(2)12-14-4-3-9-21-11-14/h3-6,9-11H,7-8,12H2,1-2H3
• InChIKey: LWFKGEOTRRUPBK-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.39
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide (CID 86822664) is 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide.

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

The canonical SMILES for 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide is Cc1ccc(-c2noc(CCC(=O)N(C)Cc3cccnc3)n2)cc1F.

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

The InChIKey is LWFKGEOTRRUPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13-5-6-15(10-16(13)20)19-22-17(26-23-19)7-8-18(25)24(2)12-14-4-3-9-21-11-14/h3-6,9-11H,7-8,12H2,1-2H3.

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

3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 354.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 86822664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).