N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C22H23ClN4O3 — CID 18209688

About N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 18209688) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 18209688
• Molecular Formula: C22H23ClN4O3
• Molecular Weight: 426.90 g/mol
• Exact Mass: 426.15
• IUPAC Name: N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1Cl
• InChI: InChI=1S/C22H23ClN4O3/c1-13(2)15-4-6-16(7-5-15)22-26-21(30-27-22)11-10-20(29)25-17-8-9-19(18(23)12-17)24-14(3)28/h4-9,12-13H,10-11H2,1-3H3,(H,24,28)(H,25,29)
• InChIKey: OHDKKYLITRTTJL-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.90
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 18209688) is N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1Cl.

What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is OHDKKYLITRTTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-13(2)15-4-6-16(7-5-15)22-26-21(30-27-22)11-10-20(29)25-17-8-9-19(18(23)12-17)24-14(3)28/h4-9,12-13H,10-11H2,1-3H3,(H,24,28)(H,25,29).

What are the key properties of N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 426.90 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamido-3-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 18209688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).