5-methyl-2-phenyl-1,3-oxazole-4-carboxylic acid - CAS 18735-74-5
Catalog: |
BB014418 |
Product Name: |
5-methyl-2-phenyl-1,3-oxazole-4-carboxylic acid |
CAS: |
18735-74-5 |
Synonyms: |
5-methyl-2-phenyl-4-oxazolecarboxylic acid; 5-methyl-2-phenyl-1,3-oxazole-4-carboxylic acid |
IUPAC Name: | 5-methyl-2-phenyl-1,3-oxazole-4-carboxylic acid |
Description: | 5-methyl-2-phenyl-1,3-oxazole-4-carboxylic acid (CAS# 18735-74-5) is a building block used to prepare oxazole transthyretin amyloidogenesis inhibitors. It is also used to synthesize inhibitors of HldE kinase as Gram-negative antivirulence drugs. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C11H9NO3/c1-7-9(11(13)14)12-10(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14) |
InChI Key: | YABCPNYCFFUVNM-UHFFFAOYSA-N |
Appearance: | White solid |
LogP: | 2.34820 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-101657678-B1 | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
KR-20150052463-A | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
WO-2015069011-A1 | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
EP-2611783-A2 | Heterocyclic compounds as dgat1 inhibitors | 20100903 |
JP-2013538808-A | Heterocyclic compounds as DGAT1 inhibitors | 20100903 |
PMID | Publication Date | Title | Journal |
20116900 | 20100501 | Structure-activity relationship of new anti-tuberculosis agents derived from oxazoline and oxazole benzyl esters | European journal of medicinal chemistry |
Complexity: | 238 |
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: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Related Functional Groups
Oxazole/Thiazole
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