| CAS Number | 1649450-12-3 |
| Catalog Number | AG00ASEB |
| Chemical Name | ML352 |
| IUPAC Name | 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide |
| InChI | InChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25) |
| InChI Key | WBLVOWHFRUAMCP-UHFFFAOYSA-N |
| MDL Number | MFCD28975158 |
| Molecular Formula | C21H29N3O4 |
| Molecular Weight | 387.4727 |
| SMILES | CN1CCC(OC2=C(OC)C=CC(C(NCC3=CC(C(C)C)=NO3)=O)=C2)CC1 |
| Synonyms | ML352 compound,
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide,
VU0476328,
ML352,
1649450-12-3,
CHEMBL3304438,
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-((1-methylpiperidin-4-yl)oxy)benzamide,
EX-A2268,
BDBM50067207,
AKOS032946585,
ZINC169328545,
NCGC00386863-01,
VU0476201,
B5897,
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-(1-methylpiperidin-4-yloxy)benzamide,
4-methoxy-3-[(1-methylpiperidin-4-yl)oxy]-N-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}benzamide,
WBLVOWHFRUAMCP-UHFFFAOYSA-N,
3-(1-methylpiperidin-4-yloxy)-N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxybenzamide,
|
| Complexity | 496 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.48g/mol |
| Monoisotopic Mass | 387.216g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 76.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number