N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C₁₈H₁₁ClN₄O₄ — CID 4172136

About N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 4172136) has the molecular formula C₁₈H₁₁ClN₄O₄ and a molecular weight of 382.76 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
• PubChem CID: 4172136
• Molecular Formula: C₁₈H₁₁ClN₄O₄
• Molecular Weight: 382.76 g/mol
• Exact Mass: 382.05
• IUPAC Name: N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
• SMILES: O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C18H11ClN4O4/c19-11-7-5-10(6-8-11)15-21-22-18(27-15)20-14(24)9-23-16(25)12-3-1-2-4-13(12)17(23)26/h1-8H,9H2,(H,20,22,24)
• InChIKey: MSYPKTGCCQJMIF-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.76
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?

The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 4172136) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?

The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2ccc(Cl)cc2)o1.

What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?

The InChIKey is MSYPKTGCCQJMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O4/c19-11-7-5-10(6-8-11)15-21-22-18(27-15)20-14(24)9-23-16(25)12-3-1-2-4-13(12)17(23)26/h1-8H,9H2,(H,20,22,24).

What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 382.76 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 4172136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4172136 — identifiers, structure, computed properties (public domain)

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