| CAS Number | 1795516-65-2 |
| Catalog Number | AG01BEVN |
| Chemical Name | 3-(4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 3-[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C20H17ClN2O4/c21-16-3-1-2-13(10-16)19-22-18(27-23-19)11-26-17-6-4-12(5-7-17)14-8-15(9-14)20(24)25/h1-7,10,14-15H,8-9,11H2,(H,24,25) |
| InChI Key | BVCUKNRYFHITJD-UHFFFAOYSA-N |
| MDL Number | MFCD30730394 |
| Molecular Formula | C20H17ClN2O4 |
| Molecular Weight | 384.8130 |
| SMILES | OC(C1CC(C2=CC=C(OCC3ON=C(C4=CC(Cl)=CC=C4)N=3)C=C2)C1)=O |
| Synonyms | AKOS034811501,
ZINC170091412,
1795516-65-2,
3-(4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenyl)cyclobutane-1-carboxylic acid, Mixture of diastereomers,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.816g/mol |
| Monoisotopic Mass | 384.088g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 85.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number