3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole

C11H20BNO3 — CID 89218427

IUPAC3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C)C1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BNO3/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h8-9H,1-6H3
InChIKeyOFXFBEPPDKTHTC-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.24
Rot. Bonds1

About 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole

3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 89218427) has the molecular formula C11H20BNO3 and a molecular weight of 225.10 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole
PubChem CID89218427
Molecular FormulaC11H20BNO3
Molecular Weight225.10 g/mol
Exact Mass225.15
IUPAC Name3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C)C1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BNO3/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h8-9H,1-6H3
InChIKeyOFXFBEPPDKTHTC-UHFFFAOYSA-N
XLogP2.24
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole (CID 89218427) is 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole is CC1=NOC(C)C1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is OFXFBEPPDKTHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BNO3/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h8-9H,1-6H3.
What are the key properties of 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole?
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 225.10 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89218427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).