5-Methyl-1,2,4-oxadiazole-3-carboxylic acid - CAS 19703-92-5
Catalog: |
BB015224 |
Product Name: |
5-Methyl-1,2,4-oxadiazole-3-carboxylic acid |
CAS: |
19703-92-5 |
Synonyms: |
5-methyl-1,2,4-oxadiazole-3-carboxylic acid; 5-methyl-1,2,4-oxadiazole-3-carboxylic acid |
IUPAC Name: | 5-methyl-1,2,4-oxadiazole-3-carboxylic acid |
Description: | 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid (CAS# 19703-92-5) is used as a reagent in the preparation of N-sulfonyloxadiazolecarboxamide. |
Molecular Weight: | 128.09 |
Molecular Formula: | C4H4N2O3 |
Canonical SMILES: | CC1=NC(=NO1)C(=O)O |
InChI: | InChI=1S/C4H4N2O3/c1-2-5-3(4(7)8)6-9-2/h1H3,(H,7,8) |
InChI Key: | UGENJCBDFKUWDO-UHFFFAOYSA-N |
Boiling Point: | 317.895 ℃ at 760 mmHg |
Density: | 1.464 g/cm3 |
MDL: | MFCD08236814 |
LogP: | 0.07620 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201927779-A | 1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor | 20171220 |
AU-2018244211-A1 | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 | 20170326 |
CA-3054945-A1 | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of gpr6 | 20170326 |
JP-2020512401-A | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 | 20170326 |
US-2020375969-A1 | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of gpr6 | 20170326 |
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: | 0.4 |
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