Methyl 5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole-4-carboxylate - CAS 1103500-32-8
Catalog: |
BB002614 |
Product Name: |
Methyl 5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole-4-carboxylate |
CAS: |
1103500-32-8 |
Synonyms: |
5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolecarboxylic acid methyl ester; methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate |
IUPAC Name: | methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate |
Description: | Methyl 5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole-4-carboxylate (CAS# 1103500-32-8 ) is a useful research chemical. |
Molecular Weight: | 327.26 |
Molecular Formula: | C15H12F3NO4 |
Canonical SMILES: | COC(=O)C1=C(ON=C1C2=CC=CC=C2OC(F)(F)F)C3CC3 |
InChI: | InChI=1S/C15H12F3NO4/c1-21-14(20)11-12(19-23-13(11)8-6-7-8)9-4-2-3-5-10(9)22-15(16,17)18/h2-5,8H,6-7H2,1H3 |
InChI Key: | INMVEWNAYCVPAI-UHFFFAOYSA-N |
LogP: | 3.90420 |
Publication Number | Title | Priority Date |
CN-112812114-A | Isoxazole derivative, pharmaceutical composition containing isoxazole derivative, and preparation method and application of isoxazole derivative | 20191115 |
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WO-2020114307-A1 | Isoxazole derivative, preparation method therefor and use thereof | 20181207 |
WO-2020033382-A1 | Compounds useful in modulating the farnesoid x receptor and methods of making and using the same | 20180808 |
Complexity: | 441 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 327.07184235 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.07184235 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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