2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide

C20H20ClN3O4 — CID 43842833

About 2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide

2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 43842833) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
• PubChem CID: 43842833
• Molecular Formula: C20H20ClN3O4
• Molecular Weight: 401.85 g/mol
• Exact Mass: 401.11
• IUPAC Name: 2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
• SMILES: CCOc1ccc(-c2nonc2NC(=O)C(C)Oc2ccccc2Cl)cc1C
• InChI: InChI=1S/C20H20ClN3O4/c1-4-26-16-10-9-14(11-12(16)2)18-19(24-28-23-18)22-20(25)13(3)27-17-8-6-5-7-15(17)21/h5-11,13H,4H2,1-3H3,(H,22,24,25)
• InChIKey: RIFXUEROGTXUJH-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.85
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide (CID 43842833) is 2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide.

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

The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide is CCOc1ccc(-c2nonc2NC(=O)C(C)Oc2ccccc2Cl)cc1C.

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

The InChIKey is RIFXUEROGTXUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-4-26-16-10-9-14(11-12(16)2)18-19(24-28-23-18)22-20(25)13(3)27-17-8-6-5-7-15(17)21/h5-11,13H,4H2,1-3H3,(H,22,24,25).

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

2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 401.85 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 43842833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).