| CAS Number | 1461705-89-4 |
| Catalog Number | AG01A63T |
| Chemical Name | tert-Butyl ((3-([1,1'-biphenyl]-4-yl)-4,5-dihydroisoxazol-5-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-[[3-(4-phenylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate |
| InChI | InChI=1S/C21H24N2O3/c1-21(2,3)25-20(24)22-14-18-13-19(23-26-18)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H,22,24) |
| InChI Key | DDJIKEDPOOJYMM-UHFFFAOYSA-N |
| MDL Number | MFCD25371706 |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.4269 |
| SMILES | CC(OC(NCC1ON=C(C2=CC=C(C3=CC=CC=C3)C=C2)C1)=O)(C)C |
| Synonyms | 1461705-89-4,
TERT-BUTYL ((3-([1,1'-BIPHENYL]-4-YL)-4,5-DIHYDROISOXAZOL-5-YL)METHYL)CARBAMATE,
tert-butyl N-{[3-(4-phenylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate,
MFCD25371706,
NE62719,
AS-42890,
t-Butyl ((3-([1,1'-biphenyl]-4-yl)-4,5-dihydroisoxazol-5-yl)methyl)carbamate,
|
| Complexity | 498 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.434g/mol |
| Monoisotopic Mass | 352.179g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 59.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Lot Number