2-ethyl-5-phenyl-1,4-oxazepane

C13H19NO — CID 83218632

IUPAC2-ethyl-5-phenyl-1,4-oxazepane
SMILESCCC1CNC(c2ccccc2)CCO1
InChIInChI=1S/C13H19NO/c1-2-12-10-14-13(8-9-15-12)11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeySLMROWPUAKZXDD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds2

About 2-ethyl-5-phenyl-1,4-oxazepane

2-ethyl-5-phenyl-1,4-oxazepane (PubChem CID 83218632) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-ethyl-5-phenyl-1,4-oxazepane.

Molecular Properties

Compound Name2-ethyl-5-phenyl-1,4-oxazepane
PubChem CID83218632
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-ethyl-5-phenyl-1,4-oxazepane
SMILESCCC1CNC(c2ccccc2)CCO1
InChIInChI=1S/C13H19NO/c1-2-12-10-14-13(8-9-15-12)11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeySLMROWPUAKZXDD-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-phenylpiperidine
CID 164753658
ethane;(2S)-2-phenylaziridine
CID 145185749
(5S)-5-phenyl-1,4-oxazepane
CID 86332618
2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine
CID 64948447
2-ethyl-1-(oxolan-3-yl)-5-phenylpiperazine
CID 64877457
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
(2S,4S)-4-[[(2R,6S)-6-ethyl-4-methylideneoxan-2-yl]methyl]-2-phenyl-1,3-dioxane
CID 88986088
(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
acetic acid;2,5-diphenylpiperazine
CID 157254746
2-[(3-phenyloxiran-2-yl)methyl]oxetane
CID 175051190
1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine
CID 64947768

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-phenyl-1,4-oxazepane?
The IUPAC name of 2-ethyl-5-phenyl-1,4-oxazepane (CID 83218632) is 2-ethyl-5-phenyl-1,4-oxazepane.
What is the SMILES notation for 2-ethyl-5-phenyl-1,4-oxazepane?
The canonical SMILES for 2-ethyl-5-phenyl-1,4-oxazepane is CCC1CNC(c2ccccc2)CCO1.
What is the InChIKey of 2-ethyl-5-phenyl-1,4-oxazepane?
The InChIKey is SLMROWPUAKZXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-12-10-14-13(8-9-15-12)11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3.
What are the key properties of 2-ethyl-5-phenyl-1,4-oxazepane?
2-ethyl-5-phenyl-1,4-oxazepane has a molecular weight of 205.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-phenyl-1,4-oxazepane is sourced from PubChem (CID 83218632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).