4-(3-Methyl-1,2,4-oxadiazol-5-yl)aniline - CAS 76635-31-9
Catalog: |
BB035643 |
Product Name: |
4-(3-Methyl-1,2,4-oxadiazol-5-yl)aniline |
CAS: |
76635-31-9 |
Synonyms: |
4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline |
IUPAC Name: | 4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline |
Description: | 4-(3-Methyl-1,2,4-oxadiazol-5-yl)aniline (CAS# 76635-31-9) is a useful research chemical. |
Molecular Weight: | 175.19 |
Molecular Formula: | C9H9N3O |
Canonical SMILES: | CC1=NOC(=N1)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C9H9N3O/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h2-5H,10H2,1H3 |
InChI Key: | SLXBJYRWWOPAOU-UHFFFAOYSA-N |
Boiling Point: | 357.826 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.229 g/cm3 |
MDL: | MFCD09971317 |
LogP: | 2.20840 |
Publication Number | Title | Priority Date |
WO-2020081682-A1 | Degraders of wild-type and mutant forms of lrrk2 | 20181016 |
AU-2013291098-A1 | 1-(cycloalkyl-carbonyl)proline derivative | 20120719 |
EP-2876105-A1 | 1-(cycloalkyl-carbonyl)proline derivative | 20120719 |
JP-6220786-B2 | 1- (Cycloalkylcarbonyl) proline derivative | 20120719 |
JP-WO2014014050-A1 | 1- (Cycloalkylcarbonyl) proline derivative | 20120719 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.074561919 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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