N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide

C21H23ClN4O3 — CID 50748237

About N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 50748237) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 50748237
• Molecular Formula: C21H23ClN4O3
• Molecular Weight: 414.89 g/mol
• Exact Mass: 414.15
• IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CCCn1c(C)ccc(-c2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)c1=O
• InChI: InChI=1S/C21H23ClN4O3/c1-4-11-26-14(3)6-8-16(21(26)28)20-24-19(29-25-20)10-9-18(27)23-15-7-5-13(2)17(22)12-15/h5-8,12H,4,9-11H2,1-3H3,(H,23,27)
• InChIKey: PKFYZDLDMZDXBM-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.89
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 50748237) is N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide is CCCn1c(C)ccc(-c2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)c1=O.

What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is PKFYZDLDMZDXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-4-11-26-14(3)6-8-16(21(26)28)20-24-19(29-25-20)10-9-18(27)23-15-7-5-13(2)17(22)12-15/h5-8,12H,4,9-11H2,1-3H3,(H,23,27).

What are the key properties of N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 414.89 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 50748237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).