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

C10H18BNO3 — CID 15264672

IUPAC3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(B2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C10H18BNO3/c1-7-6-8(13-12-7)11-14-9(2,3)10(4,5)15-11/h8H,6H2,1-5H3
InChIKeyXQVZDIJUOGFTIX-UHFFFAOYSA-N
MW211.07 g/mol
LogP1.78
Rot. Bonds1

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

3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 15264672) has the molecular formula C10H18BNO3 and a molecular weight of 211.07 g/mol. Its IUPAC name is 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole
PubChem CID15264672
Molecular FormulaC10H18BNO3
Molecular Weight211.07 g/mol
Exact Mass211.14
IUPAC Name3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(B2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C10H18BNO3/c1-7-6-8(13-12-7)11-14-9(2,3)10(4,5)15-11/h8H,6H2,1-5H3
InChIKeyXQVZDIJUOGFTIX-UHFFFAOYSA-N
XLogP1.78
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 6420656
2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102261791
(5S)-3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
CID 58667247
ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol
CID 143101190
5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium
CID 58618695
2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11275753
N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine
CID 129026318
5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 77174780
2-(6-fluoro-2,3,5,6-tetrahydro-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 70665284
4,4,5,5-tetramethyl-2-[(1R,6S,7S)-2-oxabicyclo[4.1.0]heptan-7-yl]-1,3,2-dioxaborolane
CID 164670545
4,4,5,5-tetramethyl-2-(1-methyl-2-bicyclo[1.1.1]pentanyl)-1,3,2-dioxaborolane
CID 169204381
4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
CID 101198944

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole (CID 15264672) is 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole is CC1=NOC(B2OC(C)(C)C(C)(C)O2)C1.
What is the InChIKey of 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is XQVZDIJUOGFTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BNO3/c1-7-6-8(13-12-7)11-14-9(2,3)10(4,5)15-11/h8H,6H2,1-5H3.
What are the key properties of 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole?
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 211.07 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 15264672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).