| CAS Number | 1883510-31-3 |
| Catalog Number | AG01EB2B |
| Chemical Name | ML327 |
| IUPAC Name | N-[3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide |
| InChI | InChI=1S/C19H18N4O4/c24-17-14(8-4-9-20-17)18(25)21-10-5-11-22-19(26)15-12-16(27-23-15)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H,20,24)(H,21,25)(H,22,26) |
| InChI Key | NNNDNXLMQAPQQQ-UHFFFAOYSA-N |
| MDL Number | MFCD31619239 |
| Molecular Formula | C19H18N4O4 |
| Molecular Weight | 366.3706 |
| SMILES | O=C(C1=CC=CNC1=O)NCCCNC(C2=NOC(C3=CC=CC=C3)=C2)=O |
| Synonyms | ML327 compound,
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide,
ML-327,
ML327,
1883510-31-3,
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide,
MLS004580709,
SCHEMBL17511035,
NNNDNXLMQAPQQQ-UHFFFAOYSA-N,
BCP29132,
NCGC00386818-01,
SMR003392104,
HY-103038,
AK00779568,
CS-0023395,
VU0452046-1,
|
| Complexity | 625 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.377g/mol |
| Monoisotopic Mass | 366.133g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number