2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine

C11H13NO2 — CID 102421066

IUPAC2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine
SMILESCC1=CCN=C(c2cc(C)oc2C)O1
InChIInChI=1S/C11H13NO2/c1-7-4-5-12-11(14-7)10-6-8(2)13-9(10)3/h4,6H,5H2,1-3H3
InChIKeyWDXGCEHDMSYGLT-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.58
Rot. Bonds1

About 2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine

2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine (PubChem CID 102421066) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine
PubChem CID102421066
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine
SMILESCC1=CCN=C(c2cc(C)oc2C)O1
InChIInChI=1S/C11H13NO2/c1-7-4-5-12-11(14-7)10-6-8(2)13-9(10)3/h4,6H,5H2,1-3H3
InChIKeyWDXGCEHDMSYGLT-UHFFFAOYSA-N
XLogP2.58
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine (CID 102421066) is 2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine is CC1=CCN=C(c2cc(C)oc2C)O1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine?
The InChIKey is WDXGCEHDMSYGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-4-5-12-11(14-7)10-6-8(2)13-9(10)3/h4,6H,5H2,1-3H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine?
2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine has a molecular weight of 191.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-6-methyl-4H-1,3-oxazine is sourced from PubChem (CID 102421066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).