2-Aminobenzoxazole-6-boronic Acid Pinacol Ester - CAS 1260091-04-0
Catalog: |
BB006291 |
Product Name: |
2-Aminobenzoxazole-6-boronic Acid Pinacol Ester |
CAS: |
1260091-04-0 |
Synonyms: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine |
IUPAC Name: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine |
Description: | 2-Aminobenzoxazole-6-boronic Acid Pinacol Ester (CAS# 1260091-04-0 ) is a useful research chemical. |
Molecular Weight: | 260.10 |
Molecular Formula: | C13H17N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(O3)N |
InChI: | InChI=1S/C13H17BN2O3/c1-12(2)13(3,4)19-14(18-12)8-5-6-9-10(7-8)17-11(15)16-9/h5-7H,1-4H3,(H2,15,16) |
InChI Key: | ASSAPUPXNGWQKH-UHFFFAOYSA-N |
LogP: | 1.63930 |
Publication Number | Title | Priority Date |
US-10065970-B2 | Tricyclic PI3K inhibitor compounds and methods of use | 20150908 |
US-10435414-B2 | Tricyclic PI3K inhibitor compounds and methods of use | 20150908 |
US-2018065983-A1 | Tricyclic pi3k inhibitor compounds and methods of use | 20150908 |
US-2018162873-A9 | Tricyclic pi3k inhibitor compounds and methods of use | 20150908 |
US-2018327420-A1 | Tricyclic pi3k inhibitor compounds and methods of use | 20150908 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.1332226 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.1332226 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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