5-(Chloromethyl)-3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazole - CAS 1021436-61-2
Catalog: |
BB062370 |
Product Name: |
5-(Chloromethyl)-3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazole |
CAS: |
1021436-61-2 |
Synonyms: |
5-(chloromethyl)-3-(1-(4-chlorophenyl)cyclopropyl)-1,2,4-oxadiazole; 5-(chloromethyl)-3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazole; 5-(Chloromethyl)-3-(1-(4-chlorophenyl)cyclopropyl)-1,2,4-oxadiazole, AldrichCPR |
IUPAC Name: | 5-(chloromethyl)-3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazole |
Description: | 5-(Chloromethyl)-3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazole is an intermediate used to prepare substituted oxadiazole analogs as calcium channel antagonists. |
Molecular Weight: | 269.13 |
Molecular Formula: | C12H10Cl2N2O |
Canonical SMILES: | C1CC1(C2=CC=C(C=C2)Cl)C3=NOC(=N3)CCl |
InChI: | InChI=1S/C12H10Cl2N2O/c13-7-10-15-11(16-17-10)12(5-6-12)8-1-3-9(14)4-2-8/h1-4H,5-7H2 |
InChI Key: | NYJZGVZGPYKVGQ-UHFFFAOYSA-N |
References: | Cai, C., et al. PCT Int. Appl., WO 2008117148 A1 20081002 (2008). |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.0170183 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.0170183 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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