5-(tert-Butyl)benzoxazol-2(3H)-one - CAS 99854-88-3
Catalog: |
BB042354 |
Product Name: |
5-(tert-Butyl)benzoxazol-2(3H)-one |
CAS: |
99854-88-3 |
Synonyms: |
5-tert-butyl-3H-1,3-benzoxazol-2-one; 5-tert-butyl-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 5-tert-butyl-3H-1,3-benzoxazol-2-one |
Description: | 5-(tert-Butyl)benzoxazol-2(3H)-one (CAS# 99854-88-3) is a useful research chemical. |
Molecular Weight: | 191.23 |
Molecular Formula: | C11H13NO2 |
Canonical SMILES: | CC(C)(C)C1=CC2=C(C=C1)OC(=O)N2 |
InChI: | InChI=1S/C11H13NO2/c1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9/h4-6H,1-3H3,(H,12,13) |
InChI Key: | CSKXTTYRNZFYNH-UHFFFAOYSA-N |
MDL: | MFCD08446987 |
LogP: | 2.83090 |
Publication Number | Title | Priority Date |
US-10654836-B2 | Pyrimidine derivative, method for preparing same and use thereof in medicine | 20160520 |
US-2019161476-A1 | Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine | 20160520 |
US-2019152963-A1 | Pyrazole-oxazolidinone compound for anti-hepatitis b virus | 20160406 |
US-2018194751-A1 | Indole derivative, preparation method thereof, and use thereof in pharmaceutical drug | 20150820 |
JP-2017001991-A | New benzoxazolone compounds | 20150611 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.094628657 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Benzoxazole/Benzothiazole
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