| CAS Number | 1016691-89-6 |
| Catalog Number | AG01BH88(AGN-PC-0WOU9C) |
| Chemical Name | 5-[(3-Methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C10H11N3O2/c1-14-8-4-2-3-7(5-8)6-9-12-13-10(11)15-9/h2-5H,6H2,1H3,(H2,11,13) |
| InChI Key | MBKLGXNCDWAEGT-UHFFFAOYSA-N |
| MDL Number | MFCD09813816 |
| Molecular Formula | C10H11N3O2 |
| Molecular Weight | 205.2132 |
| SMILES | COc1cccc(c1)Cc1nnc(o1)N |
| Synonyms | 5-[(3-METHOXYPHENYL)METHYL]-1,3,4-OXADIAZOL-2-AMINE,
1016691-89-6,
CTK7A9394,
AOD101210,
ZINC19275529,
AKOS000157412,
Z1947443864,
5-(3-methoxybenzyl)-1,3,4-oxadiazol-2-amine,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.217g/mol |
| Monoisotopic Mass | 205.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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