N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide

C₂₁H₁₆N₄O₄ — CID 151715137

About N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide

N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide (PubChem CID 151715137) has the molecular formula C₂₁H₁₆N₄O₄ and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide
• PubChem CID: 151715137
• Molecular Formula: C₂₁H₁₆N₄O₄
• Molecular Weight: 388.38 g/mol
• Exact Mass: 388.12
• IUPAC Name: N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide
• SMILES: O=C1C(=O)N(Cc2nc(-c3ccccc3)no2)c2ccc(NC(=O)C3CC3)cc21
• InChI: InChI=1S/C21H16N4O4/c26-18-15-10-14(22-20(27)13-6-7-13)8-9-16(15)25(21(18)28)11-17-23-19(24-29-17)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,22,27)
• InChIKey: RHJXTXCBNJPMPB-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.38
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide?

The IUPAC name of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide (CID 151715137) is N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide is O=C1C(=O)N(Cc2nc(-c3ccccc3)no2)c2ccc(NC(=O)C3CC3)cc21.

What is the InChIKey of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide?

The InChIKey is RHJXTXCBNJPMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c26-18-15-10-14(22-20(27)13-6-7-13)8-9-16(15)25(21(18)28)11-17-23-19(24-29-17)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,22,27).

What are the key properties of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide?

N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide has a molecular weight of 388.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 151715137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151715137 — identifiers, structure, computed properties (public domain)

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