3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide

C₁₈H₂₅N₃O₄ — CID 2028921

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 2028921) has the molecular formula C₁₈H₂₅N₃O₄ and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
• PubChem CID: 2028921
• Molecular Formula: C₁₈H₂₅N₃O₄
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.18
• IUPAC Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
• SMILES: COc1ccc(-c2noc(CCC(=O)NCCCOC(C)C)n2)cc1
• InChI: InChI=1S/C18H25N3O4/c1-13(2)24-12-4-11-19-16(22)9-10-17-20-18(21-25-17)14-5-7-15(23-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3,(H,19,22)
• InChIKey: FVJAOBFNBTWIHZ-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide (CID 2028921) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide.

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

The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide is COc1ccc(-c2noc(CCC(=O)NCCCOC(C)C)n2)cc1.

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

The InChIKey is FVJAOBFNBTWIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13(2)24-12-4-11-19-16(22)9-10-17-20-18(21-25-17)14-5-7-15(23-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3,(H,19,22).

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

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 2028921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2028921 — identifiers, structure, computed properties (public domain)

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