2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane

C11H16BrNO2 — CID 117226757

IUPAC2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane
SMILESCC1(C)CNC(C)(c2ccc(Br)o2)OC1
InChIInChI=1S/C11H16BrNO2/c1-10(2)6-13-11(3,14-7-10)8-4-5-9(12)15-8/h4-5,13H,6-7H2,1-3H3
InChIKeyCVNUCNPGOWJXLT-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.86
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane

2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane (PubChem CID 117226757) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane
PubChem CID117226757
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane
SMILESCC1(C)CNC(C)(c2ccc(Br)o2)OC1
InChIInChI=1S/C11H16BrNO2/c1-10(2)6-13-11(3,14-7-10)8-4-5-9(12)15-8/h4-5,13H,6-7H2,1-3H3
InChIKeyCVNUCNPGOWJXLT-UHFFFAOYSA-N
XLogP2.86
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane?
The IUPAC name of 2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane (CID 117226757) is 2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane is CC1(C)CNC(C)(c2ccc(Br)o2)OC1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane?
The InChIKey is CVNUCNPGOWJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-10(2)6-13-11(3,14-7-10)8-4-5-9(12)15-8/h4-5,13H,6-7H2,1-3H3.
What are the key properties of 2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane?
2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane has a molecular weight of 274.16 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2,5,5-trimethyl-1,3-oxazinane is sourced from PubChem (CID 117226757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).