| CAS Number | 1219838-72-8 |
| Catalog Number | AG01ACDE |
| Chemical Name | tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate |
| IUPAC Name | tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate |
| InChI | InChI=1S/C9H15N3O3/c1-6(7-12-10-5-14-7)11-8(13)15-9(2,3)4/h5-6H,1-4H3,(H,11,13) |
| InChI Key | LUQVTKJYPIONEO-UHFFFAOYSA-N |
| MDL Number | MFCD24532100 |
| Molecular Formula | C9H15N3O3 |
| Molecular Weight | 213.2337 |
| SMILES | CC(C1OC=NN=1)NC(OC(C)(C)C)=O |
| Synonyms | tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)ethyl]carbamate,
1219838-72-8,
AKOS033553050,
MCULE-8986905966,
NE43438,
Z1696871295,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.237g/mol |
| Monoisotopic Mass | 213.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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