| CAS Number | 1955520-41-8 |
| Catalog Number | AG01C5A8 |
| Chemical Name | tert-butyl N-[1-(1,2,4-oxadiazol-5-yl)-2-phenylethyl]carbamate |
| IUPAC Name | tert-butyl N-[1-(1,2,4-oxadiazol-5-yl)-2-phenylethyl]carbamate |
| InChI | InChI=1S/C15H19N3O3/c1-15(2,3)20-14(19)18-12(13-16-10-17-21-13)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,18,19) |
| InChI Key | KDSMYNRKWFIKAD-UHFFFAOYSA-N |
| MDL Number | MFCD29991360 |
| Molecular Formula | C15H19N3O3 |
| Molecular Weight | 289.3297 |
| SMILES | CC(OC(NC(C1ON=CN=1)CC1=CC=CC=C1)=O)(C)C |
| Synonyms | tert-butyl N-[1-(1,2,4-oxadiazol-5-yl)-2-phenylethyl]carbamate,
1955520-41-8,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.335g/mol |
| Monoisotopic Mass | 289.143g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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