| CAS Number | 1000932-90-0 |
| Catalog Number | AG019LCN |
| Chemical Name | 2-(Furan-2-yl)-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile |
| IUPAC Name | 2-(furan-2-yl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile |
| InChI | InChI=1S/C12H12N4O2/c13-8-9-12(16-5-3-14-4-6-16)18-11(15-9)10-2-1-7-17-10/h1-2,7,14H,3-6H2 |
| InChI Key | HFDRFJPQTZSDIB-UHFFFAOYSA-N |
| MDL Number | MFCD09971365 |
| Molecular Formula | C12H12N4O2 |
| Molecular Weight | 244.2493 |
| SMILES | N#CC1=C(N2CCNCC2)OC(C2OC=CC=2)=N1 |
| Synonyms | 2-(furan-2-yl)-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile,
1000932-90-0,
2-(2-furyl)-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile,
EN300-30792,
AC1Q4R1E,
CTK7C9214,
ZINC20281706,
AKOS009167159,
MCULE-2043833880,
NE32706,
Z324552972,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.254g/mol |
| Monoisotopic Mass | 244.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number