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

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

CAS: 832114-00-8

Formula: C11H18BNO3

SMILES: CC1=C(B2OC(C)(C)C(C)(C)O2)C(C)=NO1

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

InChI: InChI=1S/C11H18BNO3/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3

Composition: C (59.23%), H (8.13%), B (4.85%), N (6.28%), O (21.52%)

Molar Mass: 223.08

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.137973
Formal Charge	0
FSP3	0.73
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CVLHETBAROWASE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.9
Topological Polar Surface Area	44.49
Polarizability	23.53
Ring Count	2
Rotatable Bond Count	1

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