5-methyl-1,2,4-oxadiazole-3-carbaldehyde - CAS 1083300-23-5
Catalog: |
BB002250 |
Product Name: |
5-methyl-1,2,4-oxadiazole-3-carbaldehyde |
CAS: |
1083300-23-5 |
Synonyms: |
5-methyl-1,2,4-oxadiazole-3-carboxaldehyde; 5-methyl-1,2,4-oxadiazole-3-carbaldehyde |
IUPAC Name: | 5-methyl-1,2,4-oxadiazole-3-carbaldehyde |
Description: | 5-methyl-1,2,4-oxadiazole-3-carbaldehyde (CAS# 1083300-23-5 ) is a useful research chemical. |
Molecular Weight: | 112.088 |
Molecular Formula: | C4H4N2O2 |
Canonical SMILES: | CC1=NC(=NO1)C=O |
InChI: | InChI=1S/C4H4N2O2/c1-3-5-4(2-7)6-8-3/h2H,1H3 |
InChI Key: | BZTWTWNMQUXTGY-UHFFFAOYSA-N |
LogP: | 0.19050 |
Publication Number | Title | Priority Date |
BR-112019017058-A2 | compounds such as pde1 inhibitors, pharmaceutical composition and use thereof | 20171220 |
BR-112019017171-A2 | 1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof | 20171220 |
TW-201927779-A | 1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor | 20171220 |
US-10618913-B2 | Macrocycles as PDE1 inhibitors | 20171220 |
US-2019185489-A1 | Macrocycles as pde1 inhibitors | 20171220 |
Complexity: | 96 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.027277375 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.027277375 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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