Methyl 3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate - CAS 775304-60-4
Catalog: |
BB035975 |
Product Name: |
Methyl 3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate |
CAS: |
775304-60-4 |
Synonyms: |
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester; methyl 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate |
IUPAC Name: | methyl 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate |
Description: | Methyl 3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate (CAS# 775304-60-4 ) is a useful research chemical. |
Molecular Weight: | 298.27 |
Molecular Formula: | C16H11FN2O3 |
Canonical SMILES: | COC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C3=CC=CC=C3F |
InChI: | InChI=1S/C16H11FN2O3/c1-21-16(20)11-6-4-5-10(9-11)14-18-15(22-19-14)12-7-2-3-8-13(12)17/h2-9H,1H3 |
InChI Key: | LFJJTHGQRVVGGN-UHFFFAOYSA-N |
LogP: | 3.32930 |
Publication Number | Title | Priority Date |
CN-113260612-A | Compound for treating or preventing muscular dystrophy and its derivatives for treating, improving or preventing in medical use | 20181227 |
US-2017362192-A1 | Process for preparing ataluren and its intermediates | 20160620 |
US-2020262800-A1 | Hydrogen isotope-enriched analogues of 1,2,4-oxadiazole benzoic acid compounds, compositions and uses thereof | 20151116 |
WO-2017004964-A1 | Preparation method of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid | 20150703 |
US-2012289476-A1 | Methods for treating methylmalonic acidemia | 20091211 |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.07537038 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.07537038 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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