3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine

C11H19NO2 — CID 68634269

IUPAC3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine
SMILESCC1(C)C=C(N2CCOC2)C(C)(C)O1
InChIInChI=1S/C11H19NO2/c1-10(2)7-9(11(3,4)14-10)12-5-6-13-8-12/h7H,5-6,8H2,1-4H3
InChIKeyVBVOJHLCHPTVSF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds1

About 3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine

3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine (PubChem CID 68634269) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine
PubChem CID68634269
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine
SMILESCC1(C)C=C(N2CCOC2)C(C)(C)O1
InChIInChI=1S/C11H19NO2/c1-10(2)7-9(11(3,4)14-10)12-5-6-13-8-12/h7H,5-6,8H2,1-4H3
InChIKeyVBVOJHLCHPTVSF-UHFFFAOYSA-N
XLogP1.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine?
The IUPAC name of 3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine (CID 68634269) is 3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine.
What is the SMILES notation for 3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine?
The canonical SMILES for 3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine is CC1(C)C=C(N2CCOC2)C(C)(C)O1.
What is the InChIKey of 3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine?
The InChIKey is VBVOJHLCHPTVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)7-9(11(3,4)14-10)12-5-6-13-8-12/h7H,5-6,8H2,1-4H3.
What are the key properties of 3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine?
3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine has a molecular weight of 197.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethylfuran-3-yl)-1,3-oxazolidine is sourced from PubChem (CID 68634269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).