4-Methyloxazole-5-carboxylic acid - CAS 2510-32-9
Catalog: |
BB018739 |
Product Name: |
4-Methyloxazole-5-carboxylic acid |
CAS: |
2510-32-9 |
Synonyms: |
4-methyl-1,3-oxazole-5-carboxylic acid |
IUPAC Name: | 4-methyl-1,3-oxazole-5-carboxylic acid |
Description: | 4-Methyloxazole-5-carboxylic acid (CAS# 2510-32-9) is used in the synthesis of highly selective α4β2-Nicotinic acetylcholine receptor agonists used in the treatment of cognitive disorders. It is also used in the synthesis of small molecule human FPR1 receptor antagonists. |
Molecular Weight: | 127.10 |
Molecular Formula: | C5H5NO3 |
Canonical SMILES: | CC1=C(OC=N1)C(=O)O |
InChI: | InChI=1S/C5H5NO3/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8) |
InChI Key: | ZIXUNDOOBLSXPE-UHFFFAOYSA-N |
Boiling Point: | 267.3 °C at 760 mmHg |
Melting Point: | 239-240 °C |
Purity: | 98 % |
Density: | 1.348 g/cm3 |
Appearance: | White to tan solid, powder, crystals, crystalline powder and/or chunks |
MDL: | MFCD01571070 |
LogP: | 0.68120 |
GHS Hazard Statement: | H302 (33.33%): 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 |
WO-2021188907-A1 | Pyridinesulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
WO-2021188911-A1 | Cyclic sulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
EP-3822268-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021094436-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021011631-A1 | Fused-glutarimide crbn ligands and uses thereof | 20190715 |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.026943022 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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