Ethyl 2-(4-Fluorobenzyl)oxazole-4-carboxylate - CAS 500367-20-4
Catalog: |
BB026899 |
Product Name: |
Ethyl 2-(4-Fluorobenzyl)oxazole-4-carboxylate |
CAS: |
500367-20-4 |
Synonyms: |
2-[(4-fluorophenyl)methyl]-4-oxazolecarboxylic acid ethyl ester; ethyl 2-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate |
IUPAC Name: | ethyl 2-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate |
Description: | Ethyl 2-(4-Fluorobenzyl)oxazole-4-carboxylate (CAS# 500367-20-4 ) is a useful research chemical. |
Molecular Weight: | 249.24 |
Molecular Formula: | C13H12FNO3 |
Canonical SMILES: | CCOC(=O)C1=COC(=N1)CC2=CC=C(C=C2)F |
InChI: | InChI=1S/C13H12FNO3/c1-2-17-13(16)11-8-18-12(15-11)7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3 |
InChI Key: | QPHVUIKOGSOPIQ-UHFFFAOYSA-N |
LogP: | 2.58120 |
Publication Number | Title | Priority Date |
EP-1422218-A1 | Antiviral agent | 20010810 |
EP-1422218-B1 | Antiviral agent | 20010810 |
EP-2181985-A1 | Antiviral Agent | 20010810 |
EP-2266958-A1 | Antiviral agent | 20010810 |
EP-2266958-B1 | Antiviral agent | 20010810 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.08012141 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.08012141 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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