5-(tert-Butyl)-2-ethylbenzoxazole - CAS 1267427-47-3
Catalog: |
BB006650 |
Product Name: |
5-(tert-Butyl)-2-ethylbenzoxazole |
CAS: |
1267427-47-3 |
Synonyms: |
5-tert-butyl-2-ethyl-1,3-benzoxazole; 5-tert-butyl-2-ethyl-1,3-benzoxazole |
IUPAC Name: | 5-tert-butyl-2-ethyl-1,3-benzoxazole |
Description: | 5-(tert-Butyl)-2-ethylbenzoxazole (CAS# 1267427-47-3 ) is a useful research chemical. |
Molecular Weight: | 203.28 |
Molecular Formula: | C13H17NO |
Canonical SMILES: | CCC1=NC2=C(O1)C=CC(=C2)C(C)(C)C |
InChI: | InChI=1S/C13H17NO/c1-5-12-14-10-8-9(13(2,3)4)6-7-11(10)15-12/h6-8H,5H2,1-4H3 |
InChI Key: | WUTDIUFMMJPIQW-UHFFFAOYSA-N |
LogP: | 3.68770 |
Publication Number | Title | Priority Date |
US-2019276440-A1 | Rho-associated protein kinase inhibitor, pharmaceutical composition comprising same, and preparation method and use thereof | 20170630 |
CN-104327008-A | Synthesis method of benzoxazole compound | 20141030 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.131014166 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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