2-phenyl-1,4-oxazepane

C11H15NO — CID 43498382

IUPAC2-phenyl-1,4-oxazepane
SMILESc1ccc(C2CNCCCO2)cc1
InChIInChI=1S/C11H15NO/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h1-3,5-6,11-12H,4,7-9H2
InChIKeyIZUBNDQLSFWKRL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.74
Rot. Bonds1

About 2-phenyl-1,4-oxazepane

2-phenyl-1,4-oxazepane (PubChem CID 43498382) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-phenyl-1,4-oxazepane.

Molecular Properties

Compound Name2-phenyl-1,4-oxazepane
PubChem CID43498382
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-phenyl-1,4-oxazepane
SMILESc1ccc(C2CNCCCO2)cc1
InChIInChI=1S/C11H15NO/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h1-3,5-6,11-12H,4,7-9H2
InChIKeyIZUBNDQLSFWKRL-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,4-oxazepane?
The IUPAC name of 2-phenyl-1,4-oxazepane (CID 43498382) is 2-phenyl-1,4-oxazepane.
What is the SMILES notation for 2-phenyl-1,4-oxazepane?
The canonical SMILES for 2-phenyl-1,4-oxazepane is c1ccc(C2CNCCCO2)cc1.
What is the InChIKey of 2-phenyl-1,4-oxazepane?
The InChIKey is IZUBNDQLSFWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h1-3,5-6,11-12H,4,7-9H2.
What are the key properties of 2-phenyl-1,4-oxazepane?
2-phenyl-1,4-oxazepane has a molecular weight of 177.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,4-oxazepane is sourced from PubChem (CID 43498382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).