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

C14H21NO — CID 106177920

IUPAC5-ethyl-5-methyl-2-phenyl-1,4-oxazepane
SMILESCCC1(C)CCOC(c2ccccc2)CN1
InChIInChI=1S/C14H21NO/c1-3-14(2)9-10-16-13(11-15-14)12-7-5-4-6-8-12/h4-8,13,15H,3,9-11H2,1-2H3
InChIKeyZWUKFAXIBNJWLT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds2

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

5-ethyl-5-methyl-2-phenyl-1,4-oxazepane (PubChem CID 106177920) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-phenyl-1,4-oxazepane.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-phenyl-1,4-oxazepane
PubChem CID106177920
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-ethyl-5-methyl-2-phenyl-1,4-oxazepane
SMILESCCC1(C)CCOC(c2ccccc2)CN1
InChIInChI=1S/C14H21NO/c1-3-14(2)9-10-16-13(11-15-14)12-7-5-4-6-8-12/h4-8,13,15H,3,9-11H2,1-2H3
InChIKeyZWUKFAXIBNJWLT-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-phenyl-1,4-oxazepane?
The IUPAC name of 5-ethyl-5-methyl-2-phenyl-1,4-oxazepane (CID 106177920) is 5-ethyl-5-methyl-2-phenyl-1,4-oxazepane.
What is the SMILES notation for 5-ethyl-5-methyl-2-phenyl-1,4-oxazepane?
The canonical SMILES for 5-ethyl-5-methyl-2-phenyl-1,4-oxazepane is CCC1(C)CCOC(c2ccccc2)CN1.
What is the InChIKey of 5-ethyl-5-methyl-2-phenyl-1,4-oxazepane?
The InChIKey is ZWUKFAXIBNJWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(2)9-10-16-13(11-15-14)12-7-5-4-6-8-12/h4-8,13,15H,3,9-11H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-2-phenyl-1,4-oxazepane?
5-ethyl-5-methyl-2-phenyl-1,4-oxazepane has a molecular weight of 219.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-phenyl-1,4-oxazepane is sourced from PubChem (CID 106177920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).