1,3-oxazepin-7-ol

C5H5NO2 — CID 151905580

IUPAC1,3-oxazepin-7-ol
SMILESOC1=CC=CN=CO1
InChIInChI=1S/C5H5NO2/c7-5-2-1-3-6-4-8-5/h1-4,7H
InChIKeySTQYBGAYCFVBDU-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.96
Rot. Bonds

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 Name1,3-oxazepin-7-ol
PubChem CID151905580
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name1,3-oxazepin-7-ol
SMILESOC1=CC=CN=CO1
InChIInChI=1S/C5H5NO2/c7-5-2-1-3-6-4-8-5/h1-4,7H
InChIKeySTQYBGAYCFVBDU-UHFFFAOYSA-N
XLogP0.96
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).