5-Amino-3-(4-methylphenyl)isoxazole - CAS 28883-91-2
Catalog: |
BB019997 |
Product Name: |
5-Amino-3-(4-methylphenyl)isoxazole |
CAS: |
28883-91-2 |
Synonyms: |
3-(4-methylphenyl)-5-isoxazolamine; 3-(4-methylphenyl)-1,2-oxazol-5-amine |
IUPAC Name: | 3-(4-methylphenyl)-1,2-oxazol-5-amine |
Description: | 5-Amino-3-(4-methylphenyl)isoxazole (CAS# 28883-91-2) is the parent compound for 3-(4-Methylphenyl)isoxazol-5-amine; which is used in preparation of Acyl Ketolide derivatives of Erythromycin useful as antibacterials. |
Molecular Weight: | 174.20 |
Molecular Formula: | C10H10N2O |
Canonical SMILES: | CC1=CC=C(C=C1)C2=NOC(=C2)N |
InChI: | InChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,11H2,1H3 |
InChI Key: | APWSTGHORLJQPY-UHFFFAOYSA-N |
Boiling Point: | 381.2 °C at 760 mmHg |
Density: | 1.166 g/cm3 |
MDL: | MFCD06199353 |
LogP: | 2.81340 |
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 |
CN-110183435-B | Oxazole drug molecule for hospital sterilization and preparation method thereof | 20190412 |
CN-109535153-B | Benzisothiazolinone isoxazole acetamide derivative and synthetic method and application thereof | 20181010 |
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Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.079312947 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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