4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine

C9H15BN2O3 — CID 170918176

IUPAC4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine
SMILESCC1(C)OB(c2coc(N)n2)OC1(C)C
InChIInChI=1S/C9H15BN2O3/c1-8(2)9(3,4)15-10(14-8)6-5-13-7(11)12-6/h5H,1-4H3,(H2,11,12)
InChIKeyUZVMYDZKQFXNEZ-UHFFFAOYSA-N
MW210.04 g/mol
LogP0.56
Rot. Bonds1

About 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine (PubChem CID 170918176) has the molecular formula C9H15BN2O3 and a molecular weight of 210.04 g/mol. Its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine
PubChem CID170918176
Molecular FormulaC9H15BN2O3
Molecular Weight210.04 g/mol
Exact Mass210.12
IUPAC Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine
SMILESCC1(C)OB(c2coc(N)n2)OC1(C)C
InChIInChI=1S/C9H15BN2O3/c1-8(2)9(3,4)15-10(14-8)6-5-13-7(11)12-6/h5H,1-4H3,(H2,11,12)
InChIKeyUZVMYDZKQFXNEZ-UHFFFAOYSA-N
XLogP0.56
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole
CID 172644085
4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 44784903
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 68957537
N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine
CID 172644340
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)imidazole
CID 172644476
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-triazole
CID 71463824
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 162342484
1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazol-5-amine
CID 75486820
2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 53398566
2,3-dimethoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 45361769
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine
CID 130115418

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine (CID 170918176) is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine is CC1(C)OB(c2coc(N)n2)OC1(C)C.
What is the InChIKey of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine?
The InChIKey is UZVMYDZKQFXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BN2O3/c1-8(2)9(3,4)15-10(14-8)6-5-13-7(11)12-6/h5H,1-4H3,(H2,11,12).
What are the key properties of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine?
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine has a molecular weight of 210.04 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 170918176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).