1,3-Oxazepin-7-ol

C₅H₅NO₂ — CID 151905580

About 1,3-Oxazepin-7-ol

1,3-Oxazepin-7-ol (PubChem CID 151905580) has the molecular formula C₅H₅NO₂ and a molecular weight of 111.10 g/mol. Its IUPAC name is 1,3-oxazepin-7-ol.

Molecular Properties

• Compound Name: 1,3-Oxazepin-7-ol
• PubChem CID: 151905580
• Molecular Formula: C₅H₅NO₂
• Molecular Weight: 111.10 g/mol
• Exact Mass: 111.03
• IUPAC Name: 1,3-oxazepin-7-ol
• SMILES: OC1=CC=CN=CO1
• InChI: InChI=1S/C5H5NO2/c7-5-2-1-3-6-4-8-5/h1-4,7H
• InChIKey: STQYBGAYCFVBDU-UHFFFAOYSA-N
• XLogP: 0.96
• TPSA: 41.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	111.10
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,3-Oxazepin-7-ol?

The IUPAC name of 1,3-Oxazepin-7-ol (CID 151905580) is 1,3-oxazepin-7-ol.

What is the SMILES notation for 1,3-Oxazepin-7-ol?

The canonical SMILES for 1,3-Oxazepin-7-ol is OC1=CC=CN=CO1.

What is the InChIKey of 1,3-Oxazepin-7-ol?

The InChIKey is STQYBGAYCFVBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-5-2-1-3-6-4-8-5/h1-4,7H.

What are the key properties of 1,3-Oxazepin-7-ol?

1,3-Oxazepin-7-ol has a molecular weight of 111.10 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-Oxazepin-7-ol is sourced from PubChem (CID 151905580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151905580 — identifiers, structure, computed properties (public domain)

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