| CAS Number | 1152588-03-8 |
| Catalog Number | AG01AALV(AGN-PC-0WO5CK) |
| Chemical Name | 5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C10H12N4O/c1-14(2)8-5-3-4-7(6-8)9-12-13-10(11)15-9/h3-6H,1-2H3,(H2,11,13) |
| InChI Key | CPYUORMIAPGDQY-UHFFFAOYSA-N |
| MDL Number | MFCD11103980 |
| Molecular Formula | C10H12N4O |
| Molecular Weight | 204.2285 |
| SMILES | CN(C1=CC(C2OC(N)=NN=2)=CC=C1)C |
| Synonyms | 5-[3-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine,
1152588-03-8,
AC1Q3W65,
AOD100594,
ZINC34963604,
AKOS008126037,
AKOS009322897,
MCULE-8495050320,
NE26011,
EN300-68965,
Z1263716020,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.233g/mol |
| Monoisotopic Mass | 204.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number