2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane

C15H23NO — CID 113376494

IUPAC2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane
SMILESCc1ccc(C2CNC(C)CC(C)O2)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-5-6-14(11(2)7-10)15-9-16-12(3)8-13(4)17-15/h5-7,12-13,15-16H,8-9H2,1-4H3
InChIKeyMUEWLFCBWQWUHV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.13
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane

2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane (PubChem CID 113376494) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane
PubChem CID113376494
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane
SMILESCc1ccc(C2CNC(C)CC(C)O2)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-5-6-14(11(2)7-10)15-9-16-12(3)8-13(4)17-15/h5-7,12-13,15-16H,8-9H2,1-4H3
InChIKeyMUEWLFCBWQWUHV-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-5,7-dimethyl-1,4-oxazepane
CID 113376488
4-(2,4-dimethylphenyl)-2,6-dimethylpiperidine
CID 142342615
2,4-dimethyl-1-(2-methylcyclopropyl)benzene
CID 154093761
2-(2,4-dimethylphenyl)-6-phenylmorpholine
CID 43438862
2-cyclopropyl-6-(2,4-dimethylphenyl)morpholine
CID 63296925
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
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234
(2S,5S)-5-methyl-2-(3-methylphenyl)morpholine
CID 39238398

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane?
The IUPAC name of 2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane (CID 113376494) is 2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane is Cc1ccc(C2CNC(C)CC(C)O2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane?
The InChIKey is MUEWLFCBWQWUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-5-6-14(11(2)7-10)15-9-16-12(3)8-13(4)17-15/h5-7,12-13,15-16H,8-9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane?
2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane has a molecular weight of 233.35 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5,7-dimethyl-1,4-oxazepane is sourced from PubChem (CID 113376494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).