| CAS Number | 891025-25-5 |
| Catalog Number | AG00GU1C |
| Chemical Name | BAMB-4 |
| IUPAC Name | N-(1,2-benzoxazol-3-yl)-4-methylbenzamide |
| InChI | InChI=1S/C15H12N2O2/c1-10-6-8-11(9-7-10)15(18)16-14-12-4-2-3-5-13(12)19-17-14/h2-9H,1H3,(H,16,17,18) |
| InChI Key | IEPCQLHHUYRTEY-UHFFFAOYSA-N |
| MDL Number | MFCD08362411 |
| Molecular Formula | C15H12N2O2 |
| Molecular Weight | 252.2680 |
| SMILES | O=C(C1=CC=C(C)C=C1)NC2=NOC3=CC=CC=C23 |
| Synonyms | BAMB-4,
891025-25-5,
N-(1,2-benzoxazol-3-yl)-4-methylbenzamide,
AC1OZXH5,
N-(benzo[d]isoxazol-3-yl)-4-methylbenzamide,
HMS1632C01,
HMS3447H16,
ZINC6810181,
STK245371,
AKOS001871542,
CS-3226,
MCULE-4356090665,
NCGC00390764-01,
HY-16694,
ST50757006,
SR-01000139410,
N-benzo[d]isoxazol-3-yl(4-methylphenyl)carboxamide,
SR-01000139410-1,
ZINC06810181,
CID8087347,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.273g/mol |
| Monoisotopic Mass | 252.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number