2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-oxazole - CAS 1192056-62-4
Catalog: |
BB059157 |
Product Name: |
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-oxazole |
CAS: |
1192056-62-4 |
Synonyms: |
2-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)OXAZOLE; 2-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,3-OXAZOLE; 2-Methyl-oxazole-5-boronic acid pinacol ester |
IUPAC Name: | 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole |
Description: | 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-oxazole used to prepare difluoromethyl-phenyl triazole which are used as GABA receptor modulators. |
Molecular Weight: | 209.05 |
Molecular Formula: | C10H16BNO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(O2)C |
InChI: | InChI=1S/C10H16BNO3/c1-7-12-6-8(13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3 |
InChI Key: | KKXBGDVHCQOKBO-UHFFFAOYSA-N |
References: | Larsen, Janus. et al., PCT Int. Appl. (2018). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020231977-A1 | Compounds for treating huntington's disease | 20190513 |
AU-2020277027-A1 | Compounds for treating huntington's disease | 20190513 |
US-2020148689-A1 | Heterocyclic derivatives as pi3k inhibitors | 20181113 |
WO-2020102198-A1 | Heterocyclic derivatives as pi3k inhibitors | 20181113 |
US-11078204-B2 | Heterocyclic derivatives as PI3K inhibitors | 20181113 |
US-2021395258-A1 | Heterocyclic derivatives as pi3k inhibitors | 20181113 |
US-2020024261-A1 | Difluoromethyl-phenyl triazoles | 20180720 |
US-10941137-B2 | Difluoromethyl-phenyl triazoles | 20180720 |
US-2021147393-A1 | Difluoromethyl-phenyl triazoles | 20180720 |
US-10669262-B2 | Aminopyrazine diol compounds as PI3K-γ inhibitors | 20180308 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.1223235 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.1223235 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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