2-Benzyloxazole-4-carboxylic Acid - CAS 53697-48-6
Catalog: |
BB028328 |
Product Name: |
2-Benzyloxazole-4-carboxylic Acid |
CAS: |
53697-48-6 |
Synonyms: |
2-(phenylmethyl)-4-oxazolecarboxylic acid; 2-benzyl-1,3-oxazole-4-carboxylic acid |
IUPAC Name: | 2-benzyl-1,3-oxazole-4-carboxylic acid |
Description: | 2-Benzyloxazole-4-carboxylic Acid (CAS# 53697-48-6 ) is a useful research chemical. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | C1=CC=C(C=C1)CC2=NC(=CO2)C(=O)O |
InChI: | InChI=1S/C11H9NO3/c13-11(14)9-7-15-10(12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14) |
InChI Key: | VAYBOSNJNOVYKB-UHFFFAOYSA-N |
LogP: | 1.96360 |
Publication Number | Title | Priority Date |
WO-2019173790-A1 | Pyridinone- and pyridazinone-based compounds and medical uses thereof | 20180309 |
EP-3762377-A1 | Pyridinone- and pyridazinone-based compounds and medical uses thereof | 20180309 |
RU-2544862-C2 | Fluorinated aminotriazole derivatives | 20090609 |
US-2005130970-A1 | Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters | 20031114 |
US-2009018140-A1 | Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters | 20031114 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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