| CAS Number | 1798751-25-3 |
| Catalog Number | AG01BUBL |
| Chemical Name | 3-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}propanoic acid |
| IUPAC Name | 3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid |
| InChI | InChI=1S/C20H19NO4/c1-14-18(21-20(25-14)16-5-3-2-4-6-16)13-24-17-10-7-15(8-11-17)9-12-19(22)23/h2-8,10-11H,9,12-13H2,1H3,(H,22,23) |
| InChI Key | BVILYIQBHXIHEN-UHFFFAOYSA-N |
| MDL Number | MFCD30723998 |
| Molecular Formula | C20H19NO4 |
| Molecular Weight | 337.3692 |
| SMILES | CC1=C(COC2=CC=C(CCC(O)=O)C=C2)N=C(C2=CC=CC=C2)O1 |
| Synonyms | CHEMBL3600993,
1798751-25-3,
3-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}propanoic acid,
BDBM50107314,
ZINC97103278,
MCULE-9255358198,
4-[(5-Methyl-2-phenyl-4-oxazolyl)methoxy]benzenepropanoic acid,
|
| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.375g/mol |
| Monoisotopic Mass | 337.131g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number