Methyl 5-(3-Pyridyl)isoxazole-3-carboxylate - CAS 1375064-46-2
Catalog: |
BB008587 |
Product Name: |
Methyl 5-(3-Pyridyl)isoxazole-3-carboxylate |
CAS: |
1375064-46-2 |
Synonyms: |
5-(3-pyridinyl)-3-isoxazolecarboxylic acid methyl ester; methyl 5-pyridin-3-yl-1,2-oxazole-3-carboxylate |
IUPAC Name: | methyl 5-pyridin-3-yl-1,2-oxazole-3-carboxylate |
Description: | Methyl 5-(3-Pyridyl)isoxazole-3-carboxylate (CAS# 1375064-46-2) is a useful research chemical. |
Molecular Weight: | 204.18 |
Molecular Formula: | C10H8N2O3 |
Canonical SMILES: | COC(=O)C1=NOC(=C1)C2=CN=CC=C2 |
InChI: | InChI=1S/C10H8N2O3/c1-14-10(13)8-5-9(15-12-8)7-3-2-4-11-6-7/h2-6H,1H3 |
InChI Key: | IJYBKCVFGWEEKG-UHFFFAOYSA-N |
LogP: | 1.52320 |
Publication Number | Title | Priority Date |
WO-2020073031-A1 | Fused bicyclic heterocycles as thereapeutic agents | 20181005 |
EP-3856735-A1 | Fused bicyclic heterocycles as thereapeutic agents | 20181005 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.05349212 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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