5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane

C15H23NO — CID 83188663

IUPAC5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane
SMILESCc1cc(C)c(C2CNC(C)CCO2)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-7-11(2)15(12(3)8-10)14-9-16-13(4)5-6-17-14/h7-8,13-14,16H,5-6,9H2,1-4H3
InChIKeyIZOHRHZVOXIKET-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.05
Rot. Bonds1

About 5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane

5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane (PubChem CID 83188663) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane.

Molecular Properties

Compound Name5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane
PubChem CID83188663
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane
SMILESCc1cc(C)c(C2CNC(C)CCO2)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-7-11(2)15(12(3)8-10)14-9-16-13(4)5-6-17-14/h7-8,13-14,16H,5-6,9H2,1-4H3
InChIKeyIZOHRHZVOXIKET-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane?
The IUPAC name of 5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane (CID 83188663) is 5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane.
What is the SMILES notation for 5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane?
The canonical SMILES for 5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane is Cc1cc(C)c(C2CNC(C)CCO2)c(C)c1.
What is the InChIKey of 5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane?
The InChIKey is IZOHRHZVOXIKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-7-11(2)15(12(3)8-10)14-9-16-13(4)5-6-17-14/h7-8,13-14,16H,5-6,9H2,1-4H3.
What are the key properties of 5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane?
5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane has a molecular weight of 233.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane is sourced from PubChem (CID 83188663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).