| CAS Number | 1094516-37-6 |
| Catalog Number | AG01ABJ2 |
| Chemical Name | 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine |
| IUPAC Name | 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole |
| InChI | InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)13-10-16-14(18-13)11-17-8-6-15-7-9-17/h1-5,10,15H,6-9,11H2 |
| InChI Key | JDCCWCNNHAYIDF-UHFFFAOYSA-N |
| MDL Number | MFCD11211669 |
| Molecular Formula | C14H17N3O |
| Molecular Weight | 243.3043 |
| SMILES | C(C1OC(C2=CC=CC=C2)=CN=1)N1CCNCC1 |
| Synonyms | 1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine,
1094516-37-6,
SCHEMBL11552590,
ZINC36946285,
AKOS005924825,
MCULE-5272557918,
NE37017,
Z1335657645,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.31g/mol |
| Monoisotopic Mass | 243.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number