| CAS Number | 1038982-33-0 |
| Catalog Number | AG01A9SM |
| Chemical Name | 4-[5-(2-Cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenol |
| IUPAC Name | 4-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenol |
| InChI | InChI=1S/C15H18N2O2/c18-13-8-6-12(7-9-13)15-16-14(19-17-15)10-5-11-3-1-2-4-11/h6-9,11,18H,1-5,10H2 |
| InChI Key | UTDZVAATRIONED-UHFFFAOYSA-N |
| MDL Number | MFCD12636435 |
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.3156 |
| SMILES | OC1=CC=C(C2N=C(CCC3CCCC3)ON=2)C=C1 |
| Synonyms | 4-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenol,
1038982-33-0,
ZINC20432804,
AKOS008118636,
MCULE-7319176663,
NE53942,
EN300-66025,
AC1Q78R4,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.136828g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.32g/mol |
| Monoisotopic Mass | 258.136828g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number