Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde

C₂₀H₂₅N₅O₄ — CID 142573619

About Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde

Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde (PubChem CID 142573619) has the molecular formula C₂₀H₂₅N₅O₄ and a molecular weight of 399.45 g/mol. Its IUPAC name is methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde.

Molecular Properties

• Compound Name: Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
• PubChem CID: 142573619
• Molecular Formula: C₂₀H₂₅N₅O₄
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.19
• IUPAC Name: methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
• SMILES: COC.O=CN1CCC(c2nc(-c3ccc4cnn(C5COC5)c4c3)no2)CC1
• InChI: InChI=1S/C18H19N5O3.C2H6O/c24-11-22-5-3-12(4-6-22)18-20-17(21-26-18)13-1-2-14-8-19-23(16(14)7-13)15-9-25-10-15;1-3-2/h1-2,7-8,11-12,15H,3-6,9-10H2;1-2H3
• InChIKey: CASBWUUHLMYUEO-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 95.51 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?

The IUPAC name of Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde (CID 142573619) is methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde.

What is the SMILES notation for Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?

The canonical SMILES for Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde is COC.O=CN1CCC(c2nc(-c3ccc4cnn(C5COC5)c4c3)no2)CC1.

What is the InChIKey of Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?

The InChIKey is CASBWUUHLMYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3.C2H6O/c24-11-22-5-3-12(4-6-22)18-20-17(21-26-18)13-1-2-14-8-19-23(16(14)7-13)15-9-25-10-15;1-3-2/h1-2,7-8,11-12,15H,3-6,9-10H2;1-2H3.

What are the key properties of Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde?

Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde has a molecular weight of 399.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 142573619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142573619 — identifiers, structure, computed properties (public domain)

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