| CAS Number | 5311-71-7 |
| Catalog Number | AG01EWD4(AGN-PC-0LTTA4) |
| Chemical Name | 4-(5-Methyl-1,2,4-oxadiazol-3-yl)anisole |
| IUPAC Name | 3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C10H10N2O2/c1-7-11-10(12-14-7)8-3-5-9(13-2)6-4-8/h3-6H,1-2H3 |
| InChI Key | JWODWDFQJAPILK-UHFFFAOYSA-N |
| MDL Number | MFCD08070161 |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.1986 |
| SMILES | COC1C=CC(C2N=C(C)ON=2)=CC=1 |
| Synonyms | 3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole,
5311-71-7,
4-(5-Methyl-1,2,4-oxadiazol-3-yl)anisole,
methyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl ether,
AC1O5R57,
SCHEMBL5661097,
HMS3434A22,
ZINC6730184,
AKOS003369434,
MCULE-5627044454,
ZINC06730184,
CID6462339,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.202g/mol |
| Monoisotopic Mass | 190.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number