2-(Bromomethyl)-5-methyl-1,3,4-oxadiazole - CAS 944059-14-7
Catalog: |
BB041299 |
Product Name: |
2-(Bromomethyl)-5-methyl-1,3,4-oxadiazole |
CAS: |
944059-14-7 |
Synonyms: |
2-(bromomethyl)-5-methyl-1,3,4-oxadiazole; 2-(bromomethyl)-5-methyl-1,3,4-oxadiazole |
IUPAC Name: | 2-(bromomethyl)-5-methyl-1,3,4-oxadiazole |
Description: | 2-(Bromomethyl)-5-methyl-1,3,4-oxadiazole was used in the preparation of morpholinopyrimidine derivatives for treatment of proliferative disease. |
Molecular Weight: | 177.00 |
Molecular Formula: | C4H5BrN2O |
Canonical SMILES: | CC1=NN=C(O1)CBr |
InChI: | InChI=1S/C4H5BrN2O/c1-3-6-7-4(2-5)8-3/h2H2,1H3 |
InChI Key: | IVKQXJMTMAVUTG-UHFFFAOYSA-N |
LogP: | 1.27290 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-3047404-A1 | Compounds, compositions and methods of use | 20161223 |
EP-3557998-A1 | Compouns, compositions and methods of use | 20161223 |
JP-2020503314-A | Compounds, compositions, and methods of use | 20161223 |
WO-2018119395-A1 | Compouns, compositions and methods of use | 20161223 |
US-2020270211-A1 | Compounds, compositions and methods of use | 20161223 |
Complexity: | 80.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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