Ethyl 5-Cyclopropyl-3-(3,5-dichloro-4-pyridyl)isoxazole-4-carboxylate - CAS 1020569-94-1
Catalog: |
BB000762 |
Product Name: |
Ethyl 5-Cyclopropyl-3-(3,5-dichloro-4-pyridyl)isoxazole-4-carboxylate |
CAS: |
1020569-94-1 |
Synonyms: |
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolecarboxylic acid ethyl ester; ethyl 5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)-1,2-oxazole-4-carboxylate |
IUPAC Name: | ethyl 5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)-1,2-oxazole-4-carboxylate |
Description: | Ethyl 5-Cyclopropyl-3-(3,5-dichloro-4-pyridyl)isoxazole-4-carboxylate (CAS# 1020569-94-1 ) is a useful research chemical. |
Molecular Weight: | 327.16 |
Molecular Formula: | C14H12Cl2N2O3 |
Canonical SMILES: | CCOC(=O)C1=C(ON=C1C2=C(C=NC=C2Cl)Cl)C3CC3 |
InChI: | InChI=1S/C14H12Cl2N2O3/c1-2-20-14(19)11-12(18-21-13(11)7-3-4-7)10-8(15)5-17-6-9(10)16/h5-7H,2-4H2,1H3 |
InChI Key: | PUYSIVFTVLBVQM-UHFFFAOYSA-N |
LogP: | 4.09750 |
Publication Number | Title | Priority Date |
US-2019127358-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
WO-2019089667-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
EP-3704113-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
US-10730863-B2 | Bridged bicyclic compounds as farnesoid X receptor modulators | 20171101 |
US-2020190074-A1 | Lactam compound as fxr receptor agonist | 20170526 |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.0224976 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.0224976 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 65.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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