| CAS Number | 67387-54-6 |
| Catalog Number | AG019W27(AGN-PC-0160TO) |
| Chemical Name | 3-(5-Methyl-1,2-oxazole-4-amido)benzoic acid |
| IUPAC Name | 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid |
| InChI | InChI=1S/C12H10N2O4/c1-7-10(6-13-18-7)11(15)14-9-4-2-3-8(5-9)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17) |
| InChI Key | ROGQUCAEHRKRME-UHFFFAOYSA-N |
| MDL Number | MFCD22421735 |
| Molecular Formula | C12H10N2O4 |
| Molecular Weight | 246.2188 |
| SMILES | CC1=C(C(NC2=CC(C(O)=O)=CC=C2)=O)C=NO1 |
| Synonyms | 3-(5-methyl-1,2-oxazole-4-amido)benzoic acid,
3-[(5-methyl-1,2-oxazole-4-)amido]benzoic acid,
Z607822490,
3-{[(5-METHYLISOXAZOL-4-YL)CARBONYL]AMINO}BENZOIC ACID,
67387-54-6,
AC1Q2EV7,
CTK7G0350,
ZINC22167746,
AKOS000138570,
MCULE-5335469508,
NE14310,
EN300-50242,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.222g/mol |
| Monoisotopic Mass | 246.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number