1,2,4-Oxadiazole-3-carboxylic Acid - CAS 856787-15-0
Catalog: |
BB037677 |
Product Name: |
1,2,4-Oxadiazole-3-carboxylic Acid |
CAS: |
856787-15-0 |
Synonyms: |
1,2,4-oxadiazole-3-carboxylic acid; 1,2,4-oxadiazole-3-carboxylic acid |
IUPAC Name: | 1,2,4-oxadiazole-3-carboxylic acid |
Description: | 1,2,4-Oxadiazole-3-carboxylic Acid (CAS# 856787-15-0) is a useful research chemical. |
Molecular Weight: | 114.06 |
Molecular Formula: | C3H2N2O3 |
Canonical SMILES: | C1=NC(=NO1)C(=O)O |
InChI: | InChI=1S/C3H2N2O3/c6-3(7)2-4-1-8-5-2/h1H,(H,6,7) |
InChI Key: | DOFBRSPSLRPIOW-UHFFFAOYSA-N |
MDL: | MFCD09414720 |
LogP: | -0.23220 |
Publication Number | Title | Priority Date |
WO-2021133894-A1 | Btk inhibitors | 20191223 |
US-2020171020-A1 | Substituted 6-azabenzimidazole compounds | 20181031 |
WO-2020092528-A1 | Substituted 6-azabenzimidazole compounds having hpk1 inhibitory activity | 20181031 |
TW-202031654-A | Substituted 6-azabenzimidazole compounds | 20181031 |
CN-112969505-A | Substituted 6-azabenzimidazole compounds having HPK1 inhibiting activity | 20181031 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.00654193 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.00654193 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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