[5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone

C₂₁H₁₈N₄O₂ — CID 146220500

About [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone

[5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone (PubChem CID 146220500) has the molecular formula C₂₁H₁₈N₄O₂ and a molecular weight of 358.40 g/mol. Its IUPAC name is [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
• PubChem CID: 146220500
• Molecular Formula: C₂₁H₁₈N₄O₂
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.14
• IUPAC Name: [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
• SMILES: Cn1ncc2ccc(-c3cc(C(=O)N4CC(c5ccccc5)C4)no3)cc21
• InChI: InChI=1S/C21H18N4O2/c1-24-19-9-15(7-8-16(19)11-22-24)20-10-18(23-27-20)21(26)25-12-17(13-25)14-5-3-2-4-6-14/h2-11,17H,12-13H2,1H3
• InChIKey: SPKPKQBKAUHOKQ-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.40
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?

The IUPAC name of [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone (CID 146220500) is [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone.

What is the SMILES notation for [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?

The canonical SMILES for [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone is Cn1ncc2ccc(-c3cc(C(=O)N4CC(c5ccccc5)C4)no3)cc21.

What is the InChIKey of [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?

The InChIKey is SPKPKQBKAUHOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-24-19-9-15(7-8-16(19)11-22-24)20-10-18(23-27-20)21(26)25-12-17(13-25)14-5-3-2-4-6-14/h2-11,17H,12-13H2,1H3.

What are the key properties of [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone?

[5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone has a molecular weight of 358.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1-methylindazol-6-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone is sourced from PubChem (CID 146220500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146220500 — identifiers, structure, computed properties (public domain)

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