| CAS Number | 1152585-28-8 |
| Catalog Number | AG01AGLX(AGN-PC-0WO33Z) |
| Chemical Name | 5-(3-Phenylpropyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C11H13N3O/c12-11-14-13-10(15-11)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14) |
| InChI Key | JEHSJISJSSMCTC-UHFFFAOYSA-N |
| MDL Number | MFCD10693883 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | NC1OC(CCCC2=CC=CC=C2)=NN=1 |
| Synonyms | 5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine,
1152585-28-8,
AC1Q533G,
ZINC34940604,
AKOS005205321,
MCULE-4989589792,
NE24067,
EN300-72225,
Z1266823155,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.245g/mol |
| Monoisotopic Mass | 203.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number