| CAS Number | 1414963-82-8 |
| Catalog Number | AG009CNC |
| Chemical Name | N-[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]-N′-(2-pyridinylmethyl)-urea |
| IUPAC Name | 1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(pyridin-2-ylmethyl)urea |
| InChI | InChI=1S/C13H11N5O3/c19-12(15-8-9-4-1-2-6-14-9)16-13-18-17-11(21-13)10-5-3-7-20-10/h1-7H,8H2,(H2,15,16,18,19) |
| InChI Key | FNSCFQXZZNCDAI-UHFFFAOYSA-N |
| MDL Number | MFCD28009512 |
| Molecular Formula | C13H11N5O3 |
| Molecular Weight | 285.2581 |
| SMILES | O1C(=CC=C1)C1=NN=C(O1)NC(=O)NCC1=NC=CC=C1 |
| Synonyms | NK 252,
NK-252,
NK-252,
1414963-82-8,
AKOS025147343,
ZINC207660265,
CS-5458,
NCGC00387474-01,
HY-19734,
N-[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]-N'-(2-pyridinylmethyl)urea,
N-[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]-Nprime-(2-pyridinylmethyl)-urea,
NK 252,
A16300,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.263g/mol |
| Monoisotopic Mass | 285.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number