5-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester - CAS 1221502-31-3
Catalog: |
BB005347 |
Product Name: |
5-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester |
CAS: |
1221502-31-3 |
Synonyms: |
5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one; 5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
Description: | 5-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester (CAS# 1221502-31-3 ) is a useful research chemical. |
Molecular Weight: | 289.13 |
Molecular Formula: | C15H20NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C3=C(C=C2)OCC(=O)N3)C |
InChI: | InChI=1S/C15H20BNO4/c1-9-10(16-20-14(2,3)15(4,5)21-16)6-7-11-13(9)17-12(18)8-19-11/h6-7H,8H2,1-5H3,(H,17,18) |
InChI Key: | SGDDLQNLIIJUBN-UHFFFAOYSA-N |
LogP: | 1.76310 |
Publication Number | Title | Priority Date |
US-2020392153-A1 | Substituted eneoxindoles and uses thereof | 20190523 |
WO-2020237025-A1 | Substituted exo-methylene-oxindoles which are hpk1/map4k1 inhibitors | 20190523 |
TW-202003508-A | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
CN-111886233-A | Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same | 20180321 |
Complexity: | 423 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.1485383 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.1485383 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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