| CAS Number | 91643-58-2 |
| Catalog Number | AG019US5 |
| Chemical Name | 5-(4-Butoxyphenyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C12H15N3O2/c1-2-3-8-16-10-6-4-9(5-7-10)11-14-15-12(13)17-11/h4-7H,2-3,8H2,1H3,(H2,13,15) |
| InChI Key | GXIQQCJUWDVEJP-UHFFFAOYSA-N |
| MDL Number | MFCD09939201 |
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.2664 |
| SMILES | CCCCOC1=CC=C(C2OC(N)=NN=2)C=C1 |
| Synonyms | 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine,
91643-58-2,
AC1Q2XGS,
CTK6E3376,
DTXSID70565338,
AOD100038,
ZINC19479880,
AKOS000179243,
MCULE-5726633601,
NE26440,
EN300-42660,
2-amino-5-(4-butoxyphenyl)-1,3,4-oxadiazole,
AB00998605-01,
F2145-0169,
Z432067010,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.271g/mol |
| Monoisotopic Mass | 233.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number