5-methyl-1,3-oxazole-4-carboxylic acid - CAS 103879-58-9
Catalog: |
BB001252 |
Product Name: |
5-methyl-1,3-oxazole-4-carboxylic acid |
CAS: |
103879-58-9 |
Synonyms: |
5-methyl-4-oxazolecarboxylic acid; 5-methyl-1,3-oxazole-4-carboxylic acid |
IUPAC Name: | 5-methyl-1,3-oxazole-4-carboxylic acid |
Description: | 5-methyl-1,3-oxazole-4-carboxylic acid (CAS# 103879-58-9) is a useful research chemical. |
Molecular Weight: | 127.10 |
Molecular Formula: | C5H5NO3 |
Canonical SMILES: | CC1=C(N=CO1)C(=O)O |
InChI: | InChI=1S/C5H5NO3/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8) |
InChI Key: | QIACATCUODRSLS-UHFFFAOYSA-N |
Boiling Point: | 274.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.348 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD08056309 |
LogP: | 0.68120 |
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 |
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 |
WO-2020030781-A1 | Tricyclic inhibitors of hepatitis b virus | 20180810 |
CN-113272309-A | Tricyclic inhibitors of hepatitis B virus | 20180810 |
EP-3833672-A1 | Tricyclic inhibitors of hepatitis b virus | 20180810 |
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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Oxazole/Thiazole
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