2-Methylbenzoxazole-6-methanol - CAS 136663-40-6
Catalog: |
BB008391 |
Product Name: |
2-Methylbenzoxazole-6-methanol |
CAS: |
136663-40-6 |
Synonyms: |
(2-methyl-1,3-benzoxazol-6-yl)methanol; (2-methyl-1,3-benzoxazol-6-yl)methanol |
IUPAC Name: | (2-methyl-1,3-benzoxazol-6-yl)methanol |
Description: | 2-Methylbenzoxazole-6-methanol (CAS# 136663-40-6) is used in the preparation of thiazolones which are useful for inhibiting the activity and function of PI3 kinases. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | CC1=NC2=C(O1)C=C(C=C2)CO |
InChI: | InChI=1S/C9H9NO2/c1-6-10-8-3-2-7(5-11)4-9(8)12-6/h2-4,11H,5H2,1H3 |
InChI Key: | SFCHIWNAOMJWLM-UHFFFAOYSA-N |
LogP: | 1.62850 |
Publication Number | Title | Priority Date |
US-2015315198-A1 | Pyrazolopyridine pyrazolopyrimidine and related compounds | 20140505 |
US-9695166-B2 | Pyrazolopyridine pyrazolopyrimidine and related compounds | 20140505 |
WO-2015171527-A1 | Pyrazolopyridine pyrazolopyrimidine and related compounds | 20140505 |
WO-2010051042-A1 | Benzoxazole kinase inhibitors and methods of use | 20081103 |
EP-2351743-A1 | Bicyclic compound | 20081027 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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