| CAS Number | 1021245-75-9 |
| Catalog Number | AG01AAOQ |
| Chemical Name | 3-(4-butoxyphenyl)-1,2-oxazol-5-amine |
| IUPAC Name | 3-(4-butoxyphenyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C13H16N2O2/c1-2-3-8-16-11-6-4-10(5-7-11)12-9-13(14)17-15-12/h4-7,9H,2-3,8,14H2,1H3 |
| InChI Key | FXUHTGXQSPUYJB-UHFFFAOYSA-N |
| MDL Number | MFCD11156298 |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.2783 |
| SMILES | CCCCOC1=CC=C(C2=NOC(N)=C2)C=C1 |
| Synonyms | 3-(4-butoxyphenyl)-1,2-oxazol-5-amine,
1021245-75-9,
AC1Q2XGV,
ZINC20078667,
AKOS000261576,
MCULE-2950423989,
NE42440,
EN300-69186,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.283g/mol |
| Monoisotopic Mass | 232.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number