4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine

C14H19NO — CID 11600978

IUPAC4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine
SMILESCCC1COC=C(C)N1Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-3-14-11-16-10-12(2)15(14)9-13-7-5-4-6-8-13/h4-8,10,14H,3,9,11H2,1-2H3
InChIKeyGLVGDIPBJPCUJV-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.16
Rot. Bonds3

About 4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine

4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine (PubChem CID 11600978) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine
PubChem CID11600978
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine
SMILESCCC1COC=C(C)N1Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-3-14-11-16-10-12(2)15(14)9-13-7-5-4-6-8-13/h4-8,10,14H,3,9,11H2,1-2H3
InChIKeyGLVGDIPBJPCUJV-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S,5S,8S)-1,4-dibenzyl-7-[2-[(2S,5S,8S)-4,7-dibenzyl-2,5,8-triethyl-1,4,7-triazonan-1-yl]ethyl]-2,5,8-triethyl-1,4,7-triazonane
CID 171735293
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine (CID 11600978) is 4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine is CCC1COC=C(C)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine?
The InChIKey is GLVGDIPBJPCUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-14-11-16-10-12(2)15(14)9-13-7-5-4-6-8-13/h4-8,10,14H,3,9,11H2,1-2H3.
What are the key properties of 4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine?
4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine has a molecular weight of 217.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-ethyl-5-methyl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 11600978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).