| CAS Number | 1523500-41-5 |
| Catalog Number | AG01B705 |
| Chemical Name | 3-(piperidin-4-yl)-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-piperidin-4-yl-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C9H12N2O3/c12-9(13)8-5-7(11-14-8)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,12,13) |
| InChI Key | DNNTVGDEWNLNBT-UHFFFAOYSA-N |
| MDL Number | MFCD26709848 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | OC(C1ON=C(C2CCNCC2)C=1)=O |
| Synonyms | 3-(piperidin-4-yl)-1,2-oxazole-5-carboxylic acid,
1523500-41-5,
ZINC84249689,
AKOS023401997,
Z2587654820,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.206g/mol |
| Monoisotopic Mass | 196.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
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