| CAS Number | 1182892-38-1 |
| Catalog Number | AG01AH2N |
| Chemical Name | 3-(3-phenoxyphenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one |
| IUPAC Name | 3-(3-phenoxyphenyl)-4H-1,2,4-oxadiazol-5-one |
| InChI | InChI=1S/C14H10N2O3/c17-14-15-13(16-19-14)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9H,(H,15,16,17) |
| InChI Key | UIFZAZNYRCRSGX-UHFFFAOYSA-N |
| MDL Number | MFCD12894958 |
| Molecular Formula | C14H10N2O3 |
| Molecular Weight | 254.2408 |
| SMILES | O=C1ON=C(C2=CC(OC3=CC=CC=C3)=CC=C2)N1 |
| Synonyms | 3-(3-phenoxyphenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one,
1182892-38-1,
STL301953,
ZINC37926796,
AKOS005791200,
AKOS016042538,
MCULE-3942878556,
NE33449,
3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-ol,
EN300-73510,
Z1250132336,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.245g/mol |
| Monoisotopic Mass | 254.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number