Ethyl 5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate - CAS 1020569-65-6
Catalog: |
BB000761 |
Product Name: |
Ethyl 5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate |
CAS: |
1020569-65-6 |
Synonyms: |
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolecarboxylic acid ethyl ester; ethyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate |
IUPAC Name: | ethyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate |
Description: | Ethyl 5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate (CAS# 1020569-65-6 ) is a useful research chemical. |
Molecular Weight: | 326.17 |
Molecular Formula: | C15H13Cl2NO3 |
Canonical SMILES: | CCOC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C3CC3 |
InChI: | InChI=1S/C15H13Cl2NO3/c1-2-20-15(19)12-13(18-21-14(12)8-6-7-8)11-9(16)4-3-5-10(11)17/h3-5,8H,2,6-7H2,1H3 |
InChI Key: | LCBWCDNDUBMBBY-UHFFFAOYSA-N |
LogP: | 4.70250 |
Publication Number | Title | Priority Date |
CN-110818704-A | Spiro-bridged ring compounds, pharmaceutical compositions thereof and uses thereof | 20180808 |
WO-2020029908-A1 | Spiro bridged ring compound, pharmaceutical composition thereof and use thereof | 20180808 |
WO-2020033382-A1 | Compounds useful in modulating the farnesoid x receptor and methods of making and using the same | 20180808 |
AU-2019319750-A1 | Compounds useful in modulating the farnesoid X receptor and methods of making and using the same | 20180808 |
CN-112638473-A | Compounds for modulating farnesoid X receptors and methods of making and using the same | 20180808 |
Complexity: | 381 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.0272487 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.0272487 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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