| CAS Number | 1052548-99-8 |
| Catalog Number | AG019JTH |
| Chemical Name | N-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}cyclopentanamine hydrochloride |
| IUPAC Name | N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine;hydrochloride |
| InChI | InChI=1S/C14H16ClN3O.ClH/c15-11-7-5-10(6-8-11)14-18-17-13(19-14)9-16-12-3-1-2-4-12;/h5-8,12,16H,1-4,9H2;1H |
| InChI Key | SLPKDNGWPUGMGZ-UHFFFAOYSA-N |
| MDL Number | MFCD07308570 |
| Molecular Formula | C14H17Cl2N3O |
| Molecular Weight | 314.2103 |
| SMILES | Cl.ClC1=CC=C(C2OC(CNC3CCCC3)=NN=2)C=C1 |
| Synonyms | N-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}cyclopentanamine hydrochloride,
1052548-99-8,
N-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-N-cyclopentylamine hydrochloride,
AC1Q3B95,
CTK6G9928,
AKOS008022081,
MCULE-8570749827,
NE57229,
EN300-10366,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.21g/mol |
| Monoisotopic Mass | 313.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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