| CAS Number | 1155525-16-8 |
| Catalog Number | AG01A9L0 |
| Chemical Name | 3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]aniline |
| IUPAC Name | 3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]aniline |
| InChI | InChI=1S/C12H13N3O2/c13-9-4-1-3-8(7-9)11-14-12(17-15-11)10-5-2-6-16-10/h1,3-4,7,10H,2,5-6,13H2 |
| InChI Key | ZTEWIHXFQMCXSD-UHFFFAOYSA-N |
| MDL Number | MFCD12426388 |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.2505 |
| SMILES | NC1=CC(C2N=C(C3OCCC3)ON=2)=CC=C1 |
| Synonyms | 3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]aniline,
1155525-16-8,
AC1Q51FX,
AKOS005845256,
MCULE-9386047158,
NE56383,
EN300-65372,
Z1197747582,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.255g/mol |
| Monoisotopic Mass | 231.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number