| CAS Number | 500164-74-9 |
| Catalog Number | AG01BB4P(AGN-PC-0S5OY2) |
| Chemical Name | 6-{4-[(2-methoxyethoxy)methyl]phenyl}-5-methyl-3-phenyl-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one |
| IUPAC Name | 6-[4-(2-methoxyethoxymethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one |
| InChI | InChI=1S/C23H22N2O4/c1-25-19(17-10-8-16(9-11-17)15-28-13-12-27-2)14-20-21(23(25)26)22(24-29-20)18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3 |
| InChI Key | YCAACZFPADQMAR-UHFFFAOYSA-N |
| MDL Number | MFCD30182349 |
| Molecular Formula | C23H22N2O4 |
| Molecular Weight | 390.4318 |
| SMILES | COCCOCC1=CC=C(C2=CC(ON=C3C4=CC=CC=C4)=C3C(N2C)=O)C=C1 |
| Synonyms | CHEMBL401032,
500164-74-9,
6-{4-[(2-methoxyethoxy)methyl]phenyl}-5-methyl-3-phenyl-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one,
IP7e,
SCHEMBL2484853,
ZINC1554284,
BDBM50371206,
AKOS027470263,
6-[4-[(2-Methoxyethoxy)methyl]phenyl]-5-methyl-3-phenyl-isoxazolo[4,5-c]pyridin-4(5H)-one,
YCAACZFPADQMAR-UHFFFAOYSA-N,
CID9908426,
CID 9908426,
|
| Complexity | 581 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.439g/mol |
| Monoisotopic Mass | 390.158g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number