3-Methyl-5-phenylisoxazole - CAS 1008-75-9
Catalog: |
BB000376 |
Product Name: |
3-Methyl-5-phenylisoxazole |
CAS: |
1008-75-9 |
Synonyms: |
3-methyl-5-phenyl-1,2-oxazole |
IUPAC Name: | 3-methyl-5-phenyl-1,2-oxazole |
Description: | 3-Methyl-5-phenylisoxazole can be used for Aminopeptidase A inhibitors. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | CC1=NOC(=C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H9NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3 |
InChI Key: | FBYQIYSAUFWXQK-UHFFFAOYSA-N |
Boiling Point: | 262-264 ℃ / 760 mmHg |
Melting Point: | 63-68 ℃ |
Purity: | 95 % |
Density: | 1.082 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD00020810 |
LogP: | 2.65000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021073643-A1 | Drug for treating non-alcoholic steatohepatitis | 20191018 |
CN-110483430-A | A kind of preparation method of Isoxazole derivative | 20190814 |
RU-2711558-C1 | Method of producing halogen derivatives of aromatic and heteroaromatic compounds | 20190325 |
KR-20210079336-A | Aminopeptidase A inhibitor and pharmaceutical composition comprising same | 20181026 |
US-2021309678-A1 | Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same | 20181026 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Isoxazoles
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