2-Oxo-2,3-dihydrobenzoxazole-5-boronic Acid Pinacol Ester - CAS 1254319-58-8
Catalog: |
BB006121 |
Product Name: |
2-Oxo-2,3-dihydrobenzoxazole-5-boronic Acid Pinacol Ester |
CAS: |
1254319-58-8 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzoxazol-2-one; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzoxazol-2-one |
Description: | 2-Oxo-2,3-dihydrobenzoxazole-5-boronic Acid Pinacol Ester (CAS# 1254319-58-8) is a useful research chemical. |
Molecular Weight: | 261.08 |
Molecular Formula: | C13H16NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(=O)N3 |
InChI: | InChI=1S/C13H16BNO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-10-9(7-8)15-11(16)17-10/h5-7H,1-4H3,(H,15,16) |
InChI Key: | GWJADTWONUXMTN-UHFFFAOYSA-N |
LogP: | 1.83260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-10995086-B2 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-2021317110-A1 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
AU-2015236855-A1 | Pyridyl piperidines | 20140327 |
AU-2015236855-B2 | Pyridyl piperidines | 20140327 |
Complexity: | 382 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.1172382 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.1172382 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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