4-Methyl-1,2,5-oxadiazole-3-carboxylic Acid - CAS 58677-34-2
Catalog: |
BB030123 |
Product Name: |
4-Methyl-1,2,5-oxadiazole-3-carboxylic Acid |
CAS: |
58677-34-2 |
Synonyms: |
4-methyl-1,2,5-oxadiazole-3-carboxylic acid; 4-methyl-1,2,5-oxadiazole-3-carboxylic acid |
IUPAC Name: | 4-methyl-1,2,5-oxadiazole-3-carboxylic acid |
Description: | 4-Methyl-1,2,5-oxadiazole-3-carboxylic Acid (CAS# 58677-34-2) is a reactant in the preparation of a novel glycogen synthase kinase-3β Inhibitor which may be used in the treatment of bipolar disorder, treating mania and depression. |
Molecular Weight: | 128.09 |
Molecular Formula: | C4H4N2O3 |
Canonical SMILES: | CC1=NON=C1C(=O)O |
InChI: | InChI=1S/C4H4N2O3/c1-2-3(4(7)8)6-9-5-2/h1H3,(H,7,8) |
InChI Key: | GAIAHHRZVGJYQW-UHFFFAOYSA-N |
Boiling Point: | 286.5 °C at 760 mmHg |
Density: | 1.464 g/cm3 |
MDL: | MFCD00461519 |
LogP: | 0.07620 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021204800-A1 | Difluorocyclohexyl derivatives as il-17 modulators | 20200407 |
WO-2021170627-A1 | Difluorocyclohexyl derivatives as il-17 modulators | 20200225 |
EP-3822268-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021094436-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.02219199 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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