3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C11H17BN2O3 — CID 164651800

IUPAC3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCC1(C)COB(c2cnc3n2CCOC3)OC1
InChIInChI=1S/C11H17BN2O3/c1-11(2)7-16-12(17-8-11)9-5-13-10-6-15-4-3-14(9)10/h5H,3-4,6-8H2,1-2H3
InChIKeyJMRHXDVNKQCPIX-UHFFFAOYSA-N
MW236.08 g/mol
LogP0.18
Rot. Bonds1

About 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 164651800) has the molecular formula C11H17BN2O3 and a molecular weight of 236.08 g/mol. Its IUPAC name is 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID164651800
Molecular FormulaC11H17BN2O3
Molecular Weight236.08 g/mol
Exact Mass236.13
IUPAC Name3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCC1(C)COB(c2cnc3n2CCOC3)OC1
InChIInChI=1S/C11H17BN2O3/c1-11(2)7-16-12(17-8-11)9-5-13-10-6-15-4-3-14(9)10/h5H,3-4,6-8H2,1-2H3
InChIKeyJMRHXDVNKQCPIX-UHFFFAOYSA-N
XLogP0.18
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 164651800) is 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is CC1(C)COB(c2cnc3n2CCOC3)OC1.
What is the InChIKey of 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is JMRHXDVNKQCPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O3/c1-11(2)7-16-12(17-8-11)9-5-13-10-6-15-4-3-14(9)10/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 236.08 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 164651800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).