| CAS Number | 1016707-50-8 |
| Catalog Number | AG018MVX(AGN-PC-0WOB3S) |
| Chemical Name | 5-(Cyclopentylmethyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C8H13N3O/c9-8-11-10-7(12-8)5-6-3-1-2-4-6/h6H,1-5H2,(H2,9,11) |
| InChI Key | SFCHBJCTQQMHET-UHFFFAOYSA-N |
| MDL Number | MFCD09813633 |
| Molecular Formula | C8H13N3O |
| Molecular Weight | 167.2083 |
| SMILES | NC1OC(CC2CCCC2)=NN=1 |
| Synonyms | 5-(cyclopentylmethyl)-1,3,4-oxadiazol-2-amine,
1016707-50-8,
AC1Q533B,
CTK7E1472,
DTXSID50602614,
ZINC19263466,
AKOS000149938,
MCULE-7113046446,
NE26503,
EN300-66804,
F2158-1513,
Z1575304428,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.212g/mol |
| Monoisotopic Mass | 167.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number