2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane

C15H23NO — CID 113484909

IUPAC2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane
SMILESCc1ccc(C)c(C2CNC(C)C(C)CO2)c1
InChIInChI=1S/C15H23NO/c1-10-5-6-11(2)14(7-10)15-8-16-13(4)12(3)9-17-15/h5-7,12-13,15-16H,8-9H2,1-4H3
InChIKeyVCOWXOKOYBQXDJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane

2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane (PubChem CID 113484909) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane
PubChem CID113484909
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane
SMILESCc1ccc(C)c(C2CNC(C)C(C)CO2)c1
InChIInChI=1S/C15H23NO/c1-10-5-6-11(2)14(7-10)15-8-16-13(4)12(3)9-17-15/h5-7,12-13,15-16H,8-9H2,1-4H3
InChIKeyVCOWXOKOYBQXDJ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenyl)-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 114179150
5-benzyl-2-(2,5-dimethylphenyl)morpholine
CID 63261254
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1,4-oxazepane
CID 113484913
2-(2,4-dimethylphenyl)-5-propan-2-ylmorpholine
CID 79247041
2-(2,4-dimethylphenyl)-6-methyl-1,4-oxazepane
CID 65035438
3-(2,4-dimethylphenyl)-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364242
3-(2,4-dimethylphenyl)-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]oxazepine
CID 106364353
2-(2-methoxy-3,5-dimethylphenyl)-5-methylmorpholine
CID 82291275
6-(2,5-dimethylphenyl)-2,2-dimethylmorpholine
CID 65102537
3-(2,5-dimethylphenyl)-4-methylpiperidine
CID 66273596
(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 130067434
2-(2,5-dimethylfuran-3-yl)-5-methylmorpholine
CID 43367066

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane?
The IUPAC name of 2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane (CID 113484909) is 2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane is Cc1ccc(C)c(C2CNC(C)C(C)CO2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane?
The InChIKey is VCOWXOKOYBQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-5-6-11(2)14(7-10)15-8-16-13(4)12(3)9-17-15/h5-7,12-13,15-16H,8-9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane?
2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane has a molecular weight of 233.35 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5,6-dimethyl-1,4-oxazepane is sourced from PubChem (CID 113484909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).