5-Oxazolecarboxylic acid - CAS 118994-90-4
Catalog: |
BB004361 |
Product Name: |
5-Oxazolecarboxylic acid |
CAS: |
118994-90-4 |
Synonyms: |
1,3-oxazole-5-carboxylic acid |
IUPAC Name: | 1,3-oxazole-5-carboxylic acid |
Description: | 5-Oxazolecarboxylic acid (CAS# 118994-90-4) is a useful research chemical. |
Molecular Weight: | 113.07 |
Molecular Formula: | C4H3NO3 |
Canonical SMILES: | C1=C(OC=N1)C(=O)O |
InChI: | InChI=1S/C4H3NO3/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7) |
InChI Key: | QCGMEWVZBGQOFN-UHFFFAOYSA-N |
Boiling Point: | 289.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.449 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04114931 |
LogP: | 0.37280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248488-A | Novel heterocyclic amide piperidine derivative, preparation method thereof and application thereof in hypoglycemic drugs | 20210118 |
WO-2021188880-A1 | Benzenesulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
WO-2021188911-A1 | Cyclic sulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
WO-2021180235-A1 | Inhibitor of enhancer of zeste homologue 2, and use thereof | 20200313 |
US-2021292301-A1 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20200213 |
PMID | Publication Date | Title | Journal |
17617401 | 20070910 | beta(2) and beta(3)-adrenoceptor inhibition of alpha(1)-adrenoceptor-stimulated Ca(2+) elevation in human cultured prostatic stromal cells | European journal of pharmacology |
16012949 | 20050701 | Glibenclamide stimulates fluid secretion in rodent cholangiocytes through a cystic fibrosis transmembrane conductance regulator-independent mechanism | Gastroenterology |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.011292958 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.011292958 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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Related Functional Groups
Carbonyl Compounds
Oxazole/Thiazole
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