2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole

C161H118Br6Cl25F3N30O24 — CID 158936630

IUPAC2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
SMILESBrC(Br)c1nnc(-c2ccccc2)o1.BrCc1nnc(-c2ccccc2)o1.CCCCOc1ccc(C=Cc2nnc(C(Br)(Br)Br)o2)cc1.CCCCOc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.COc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.COc1ccc(C=Cc2nnc(C(F)(F)F)o2)cc1.COc1ccc(C=Cc2nnc(CCl)o2)cc1.ClC(Cl)(Cl)c1nnc(C=Cc2cc3ccccc3o2)o1.ClC(Cl)(Cl)c1nnc(C=Cc2ccc3c(c2)OCO3)o1.ClC(Cl)(Cl)c1nnc(C=Cc2ccccc2)o1.ClC(Cl)c1nnc(-c2ccccc2)o1.ClCc1nnc(-c2ccccc2)o1.O=[N+]([O-])c1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.[C-]#[N+]c1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1
InChIInChI=1S/C15H15Br3N2O2.C15H15Cl3N2O2.C13H7Cl3N2O2.C12H6Cl3N3O.C12H7Cl3N2O3.C12H9Cl3N2O2.C12H11ClN2O2.C12H9F3N2O2.C11H6Cl3N3O3.C11H7Cl3N2O.C9H6Br2N2O.C9H7BrN2O.C9H6Cl2N2O.C9H7ClN2O/c2*1-2-3-10-21-12-7-4-11(5-8-12)6-9-13-19-20-14(22-13)15(16,17)18;14-13(15,16)12-18-17-11(20-12)6-5-9-7-8-3-1-2-4-10(8)19-9;1-16-9-5-2-8(3-6-9)4-7-10-17-18-11(19-10)12(13,14)15;13-12(14,15)11-17-16-10(20-11)4-2-7-1-3-8-9(5-7)19-6-18-8;1-18-9-5-2-8(3-6-9)4-7-10-16-17-11(19-10)12(13,14)15;1-16-10-5-2-9(3-6-10)4-7-11-14-15-12(8-13)17-11;1-18-9-5-2-8(3-6-9)4-7-10-16-17-11(19-10)12(13,14)15;12-11(13,14)10-16-15-9(20-10)6-3-7-1-4-8(5-2-7)17(18)19;12-11(13,14)10-16-15-9(17-10)7-6-8-4-2-1-3-5-8;10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6;10-6-8-11-12-9(13-8)7-4-2-1-3-5-7;10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6;10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h2*4-9H,2-3,10H2,1H3;1-7H;2-7H;1-5H,6H2;2-7H,1H3;2-7H,8H2,1H3;2-7H,1H3;1-6H;1-7H;1-5,7H;1-5H,6H2;1-5,7H;1-5H,6H2
InChIKeyJJSOPDXTVBJHHK-UHFFFAOYSA-N
MW4279.64 g/mol
LogP54.40
Rot. Bonds41

About 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole

2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole (PubChem CID 158936630) has the molecular formula C161H118Br6Cl25F3N30O24 and a molecular weight of 4279.64 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
PubChem CID158936630
Molecular FormulaC161H118Br6Cl25F3N30O24
Molecular Weight4279.64 g/mol
Exact Mass4259.62
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
SMILESBrC(Br)c1nnc(-c2ccccc2)o1.BrCc1nnc(-c2ccccc2)o1.CCCCOc1ccc(C=Cc2nnc(C(Br)(Br)Br)o2)cc1.CCCCOc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.COc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.COc1ccc(C=Cc2nnc(C(F)(F)F)o2)cc1.COc1ccc(C=Cc2nnc(CCl)o2)cc1.ClC(Cl)(Cl)c1nnc(C=Cc2cc3ccccc3o2)o1.ClC(Cl)(Cl)c1nnc(C=Cc2ccc3c(c2)OCO3)o1.ClC(Cl)(Cl)c1nnc(C=Cc2ccccc2)o1.ClC(Cl)c1nnc(-c2ccccc2)o1.ClCc1nnc(-c2ccccc2)o1.O=[N+]([O-])c1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.[C-]#[N+]c1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1
InChIInChI=1S/C15H15Br3N2O2.C15H15Cl3N2O2.C13H7Cl3N2O2.C12H6Cl3N3O.C12H7Cl3N2O3.C12H9Cl3N2O2.C12H11ClN2O2.C12H9F3N2O2.C11H6Cl3N3O3.C11H7Cl3N2O.C9H6Br2N2O.C9H7BrN2O.C9H6Cl2N2O.C9H7ClN2O/c2*1-2-3-10-21-12-7-4-11(5-8-12)6-9-13-19-20-14(22-13)15(16,17)18;14-13(15,16)12-18-17-11(20-12)6-5-9-7-8-3-1-2-4-10(8)19-9;1-16-9-5-2-8(3-6-9)4-7-10-17-18-11(19-10)12(13,14)15;13-12(14,15)11-17-16-10(20-11)4-2-7-1-3-8-9(5-7)19-6-18-8;1-18-9-5-2-8(3-6-9)4-7-10-16-17-11(19-10)12(13,14)15;1-16-10-5-2-9(3-6-10)4-7-11-14-15-12(8-13)17-11;1-18-9-5-2-8(3-6-9)4-7-10-16-17-11(19-10)12(13,14)15;12-11(13,14)10-16-15-9(20-10)6-3-7-1-4-8(5-2-7)17(18)19;12-11(13,14)10-16-15-9(17-10)7-6-8-4-2-1-3-5-8;10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6;10-6-8-11-12-9(13-8)7-4-2-1-3-5-7;10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6;10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h2*4-9H,2-3,10H2,1H3;1-7H;2-7H;1-5H,6H2;2-7H,1H3;2-7H,8H2,1H3;2-7H,1H3;1-6H;1-7H;1-5,7H;1-5H,6H2;1-5,7H;1-5H,6H2
InChIKeyJJSOPDXTVBJHHK-UHFFFAOYSA-N
XLogP54.40
TPSA670.13 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds41
Heavy Atoms249
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004279.64
LogP ≤ 554.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole (CID 158936630) is 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole is BrC(Br)c1nnc(-c2ccccc2)o1.BrCc1nnc(-c2ccccc2)o1.CCCCOc1ccc(C=Cc2nnc(C(Br)(Br)Br)o2)cc1.CCCCOc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.COc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.COc1ccc(C=Cc2nnc(C(F)(F)F)o2)cc1.COc1ccc(C=Cc2nnc(CCl)o2)cc1.ClC(Cl)(Cl)c1nnc(C=Cc2cc3ccccc3o2)o1.ClC(Cl)(Cl)c1nnc(C=Cc2ccc3c(c2)OCO3)o1.ClC(Cl)(Cl)c1nnc(C=Cc2ccccc2)o1.ClC(Cl)c1nnc(-c2ccccc2)o1.ClCc1nnc(-c2ccccc2)o1.O=[N+]([O-])c1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.[C-]#[N+]c1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
The InChIKey is JJSOPDXTVBJHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br3N2O2.C15H15Cl3N2O2.C13H7Cl3N2O2.C12H6Cl3N3O.C12H7Cl3N2O3.C12H9Cl3N2O2.C12H11ClN2O2.C12H9F3N2O2.C11H6Cl3N3O3.C11H7Cl3N2O.C9H6Br2N2O.C9H7BrN2O.C9H6Cl2N2O.C9H7ClN2O/c2*1-2-3-10-21-12-7-4-11(5-8-12)6-9-13-19-20-14(22-13)15(16,17)18;14-13(15,16)12-18-17-11(20-12)6-5-9-7-8-3-1-2-4-10(8)19-9;1-16-9-5-2-8(3-6-9)4-7-10-17-18-11(19-10)12(13,14)15;13-12(14,15)11-17-16-10(20-11)4-2-7-1-3-8-9(5-7)19-6-18-8;1-18-9-5-2-8(3-6-9)4-7-10-16-17-11(19-10)12(13,14)15;1-16-10-5-2-9(3-6-10)4-7-11-14-15-12(8-13)17-11;1-18-9-5-2-8(3-6-9)4-7-10-16-17-11(19-10)12(13,14)15;12-11(13,14)10-16-15-9(20-10)6-3-7-1-4-8(5-2-7)17(18)19;12-11(13,14)10-16-15-9(17-10)7-6-8-4-2-1-3-5-8;10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6;10-6-8-11-12-9(13-8)7-4-2-1-3-5-7;10-7(11)9-13-12-8(14-9)6-4-2-1-3-5-6;10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h2*4-9H,2-3,10H2,1H3;1-7H;2-7H;1-5H,6H2;2-7H,1H3;2-7H,8H2,1H3;2-7H,1H3;1-6H;1-7H;1-5,7H;1-5H,6H2;1-5,7H;1-5H,6H2.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole has a molecular weight of 4279.64 g/mol, XLogP of 54.40, 41 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;2-[2-(4-butoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(chloromethyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3,4-oxadiazole;2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;2-(dibromomethyl)-5-phenyl-1,3,4-oxadiazole;2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole;2-[2-(4-isocyanophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole;2-[2-(4-nitrophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 158936630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).