5-(tert-Butyl)-2-(chloromethyl)benzoxazole - CAS 65999-87-3
Catalog: |
BB032876 |
Product Name: |
5-(tert-Butyl)-2-(chloromethyl)benzoxazole |
CAS: |
65999-87-3 |
Synonyms: |
5-tert-butyl-2-(chloromethyl)-1,3-benzoxazole; 5-tert-butyl-2-(chloromethyl)-1,3-benzoxazole |
IUPAC Name: | 5-tert-butyl-2-(chloromethyl)-1,3-benzoxazole |
Description: | 5-(tert-Butyl)-2-(chloromethyl)benzoxazole (CAS# 65999-87-3) is a useful research chemical compound. |
Molecular Weight: | 223.70 |
Molecular Formula: | C12H14ClNO |
Canonical SMILES: | CC(C)(C)C1=CC2=C(C=C1)OC(=N2)CCl |
InChI: | InChI=1S/C12H14ClNO/c1-12(2,3)8-4-5-10-9(6-8)14-11(7-13)15-10/h4-6H,7H2,1-3H3 |
InChI Key: | ISCZMFMELFUQGR-UHFFFAOYSA-N |
LogP: | 3.86410 |
Publication Number | Title | Priority Date |
WO-2020116971-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
KR-20200068994-A | Compound for inhibiting PDE9A and medical uses thereof | 20181206 |
EP-3892623-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
EP-1836158-B1 | Fused bicyclic carboxamide derivatives for use as cxcr2 inhibitors in the treatment of inflammation | 20041230 |
RU-2404962-C2 | Condensed bicyclic carboxamide derivatives used as cxcr2 inhibitors for treating inflammations | 20041230 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0763918 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0763918 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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