2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole

C176H184N40O17S14 — CID 161385267

IUPAC2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESCCCCCCCCCCCCSc1nnc(-c2ccccc2)o1.CCNCCSc1nnc(-c2ccccc2)o1.CCSc1nnc(-c2ccccc2)o1.CCSc1nnc(-c2ccccc2)o1.CN(C)CCSc1nnc(-c2ccccc2)o1.COCCSc1nnc(-c2ccccc2)o1.c1ccc(-c2nnc(SCCC3OCCCO3)o2)cc1.c1ccc(-c2nnc(SCc3ccncc3)o2)cc1.c1ccc(-c2nnc(SCc3cscn3)o2)cc1.c1ccc(-c2nnc(SCc3ncco3)o2)cc1.c1ccc(-n2cc(CSc3nnc(C4CCC4)o3)nn2)cc1.c1ccc(-n2cc(CSc3nnc(C4CCCC4)o3)nn2)cc1.c1ccc(Cn2cc(CSc3nnc(-c4ccccc4)o3)nn2)cc1
InChIInChI=1S/C20H30N2OS.C18H15N5OS.C16H17N5OS.C15H15N5OS.C14H11N3OS.C14H16N2O3S.C12H9N3O2S.C12H9N3OS2.2C12H15N3OS.C11H12N2O2S.2C10H10N2OS/c1-2-3-4-5-6-7-8-9-10-14-17-24-20-22-21-19(23-20)18-15-12-11-13-16-18;1-3-7-14(8-4-1)11-23-12-16(19-22-23)13-25-18-21-20-17(24-18)15-9-5-2-6-10-15;1-2-8-14(9-3-1)21-10-13(17-20-21)11-23-16-19-18-15(22-16)12-6-4-5-7-12;1-2-7-13(8-3-1)20-9-12(16-19-20)10-22-15-18-17-14(21-15)11-5-4-6-11;1-2-4-12(5-3-1)13-16-17-14(18-13)19-10-11-6-8-15-9-7-11;1-2-5-11(6-3-1)13-15-16-14(19-13)20-10-7-12-17-8-4-9-18-12;1-2-4-9(5-3-1)11-14-15-12(17-11)18-8-10-13-6-7-16-10;1-2-4-9(5-3-1)11-14-15-12(16-11)18-7-10-6-17-8-13-10;1-15(2)8-9-17-12-14-13-11(16-12)10-6-4-3-5-7-10;1-2-13-8-9-17-12-15-14-11(16-12)10-6-4-3-5-7-10;1-14-7-8-16-11-13-12-10(15-11)9-5-3-2-4-6-9;2*1-2-14-10-12-11-9(13-10)8-6-4-3-5-7-8/h11-13,15-16H,2-10,14,17H2,1H3;1-10,12H,11,13H2;1-3,8-10,12H,4-7,11H2;1-3,7-9,11H,4-6,10H2;1-9H,10H2;1-3,5-6,12H,4,7-10H2;1-7H,8H2;1-6,8H,7H2;3-7H,8-9H2,1-2H3;3-7,13H,2,8-9H2,1H3;2-6H,7-8H2,1H3;2*3-7H,2H2,1H3
InChIKeyVSGIIMGKHTWMJY-UHFFFAOYSA-N
MW3580.61 g/mol
LogP43.14
Rot. Bonds68

About 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole

2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 161385267) has the molecular formula C176H184N40O17S14 and a molecular weight of 3580.61 g/mol. Its IUPAC name is 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole
PubChem CID161385267
Molecular FormulaC176H184N40O17S14
Molecular Weight3580.61 g/mol
Exact Mass3577.09
IUPAC Name2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESCCCCCCCCCCCCSc1nnc(-c2ccccc2)o1.CCNCCSc1nnc(-c2ccccc2)o1.CCSc1nnc(-c2ccccc2)o1.CCSc1nnc(-c2ccccc2)o1.CN(C)CCSc1nnc(-c2ccccc2)o1.COCCSc1nnc(-c2ccccc2)o1.c1ccc(-c2nnc(SCCC3OCCCO3)o2)cc1.c1ccc(-c2nnc(SCc3ccncc3)o2)cc1.c1ccc(-c2nnc(SCc3cscn3)o2)cc1.c1ccc(-c2nnc(SCc3ncco3)o2)cc1.c1ccc(-n2cc(CSc3nnc(C4CCC4)o3)nn2)cc1.c1ccc(-n2cc(CSc3nnc(C4CCCC4)o3)nn2)cc1.c1ccc(Cn2cc(CSc3nnc(-c4ccccc4)o3)nn2)cc1
InChIInChI=1S/C20H30N2OS.C18H15N5OS.C16H17N5OS.C15H15N5OS.C14H11N3OS.C14H16N2O3S.C12H9N3O2S.C12H9N3OS2.2C12H15N3OS.C11H12N2O2S.2C10H10N2OS/c1-2-3-4-5-6-7-8-9-10-14-17-24-20-22-21-19(23-20)18-15-12-11-13-16-18;1-3-7-14(8-4-1)11-23-12-16(19-22-23)13-25-18-21-20-17(24-18)15-9-5-2-6-10-15;1-2-8-14(9-3-1)21-10-13(17-20-21)11-23-16-19-18-15(22-16)12-6-4-5-7-12;1-2-7-13(8-3-1)20-9-12(16-19-20)10-22-15-18-17-14(21-15)11-5-4-6-11;1-2-4-12(5-3-1)13-16-17-14(18-13)19-10-11-6-8-15-9-7-11;1-2-5-11(6-3-1)13-15-16-14(19-13)20-10-7-12-17-8-4-9-18-12;1-2-4-9(5-3-1)11-14-15-12(17-11)18-8-10-13-6-7-16-10;1-2-4-9(5-3-1)11-14-15-12(16-11)18-7-10-6-17-8-13-10;1-15(2)8-9-17-12-14-13-11(16-12)10-6-4-3-5-7-10;1-2-13-8-9-17-12-15-14-11(16-12)10-6-4-3-5-7-10;1-14-7-8-16-11-13-12-10(15-11)9-5-3-2-4-6-9;2*1-2-14-10-12-11-9(13-10)8-6-4-3-5-7-8/h11-13,15-16H,2-10,14,17H2,1H3;1-10,12H,11,13H2;1-3,8-10,12H,4-7,11H2;1-3,7-9,11H,4-6,10H2;1-9H,10H2;1-3,5-6,12H,4,7-10H2;1-7H,8H2;1-6,8H,7H2;3-7H,8-9H2,1-2H3;3-7,13H,2,8-9H2,1H3;2-6H,7-8H2,1H3;2*3-7H,2H2,1H3
InChIKeyVSGIIMGKHTWMJY-UHFFFAOYSA-N
XLogP43.14
TPSA692.86 Ų
H-Bond Donors1
H-Bond Acceptors71
Rotatable Bonds68
Heavy Atoms247
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003580.61
LogP ≤ 543.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1071

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole (CID 161385267) is 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole is CCCCCCCCCCCCSc1nnc(-c2ccccc2)o1.CCNCCSc1nnc(-c2ccccc2)o1.CCSc1nnc(-c2ccccc2)o1.CCSc1nnc(-c2ccccc2)o1.CN(C)CCSc1nnc(-c2ccccc2)o1.COCCSc1nnc(-c2ccccc2)o1.c1ccc(-c2nnc(SCCC3OCCCO3)o2)cc1.c1ccc(-c2nnc(SCc3ccncc3)o2)cc1.c1ccc(-c2nnc(SCc3cscn3)o2)cc1.c1ccc(-c2nnc(SCc3ncco3)o2)cc1.c1ccc(-n2cc(CSc3nnc(C4CCC4)o3)nn2)cc1.c1ccc(-n2cc(CSc3nnc(C4CCCC4)o3)nn2)cc1.c1ccc(Cn2cc(CSc3nnc(-c4ccccc4)o3)nn2)cc1.
What is the InChIKey of 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is VSGIIMGKHTWMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS.C18H15N5OS.C16H17N5OS.C15H15N5OS.C14H11N3OS.C14H16N2O3S.C12H9N3O2S.C12H9N3OS2.2C12H15N3OS.C11H12N2O2S.2C10H10N2OS/c1-2-3-4-5-6-7-8-9-10-14-17-24-20-22-21-19(23-20)18-15-12-11-13-16-18;1-3-7-14(8-4-1)11-23-12-16(19-22-23)13-25-18-21-20-17(24-18)15-9-5-2-6-10-15;1-2-8-14(9-3-1)21-10-13(17-20-21)11-23-16-19-18-15(22-16)12-6-4-5-7-12;1-2-7-13(8-3-1)20-9-12(16-19-20)10-22-15-18-17-14(21-15)11-5-4-6-11;1-2-4-12(5-3-1)13-16-17-14(18-13)19-10-11-6-8-15-9-7-11;1-2-5-11(6-3-1)13-15-16-14(19-13)20-10-7-12-17-8-4-9-18-12;1-2-4-9(5-3-1)11-14-15-12(17-11)18-8-10-13-6-7-16-10;1-2-4-9(5-3-1)11-14-15-12(16-11)18-7-10-6-17-8-13-10;1-15(2)8-9-17-12-14-13-11(16-12)10-6-4-3-5-7-10;1-2-13-8-9-17-12-15-14-11(16-12)10-6-4-3-5-7-10;1-14-7-8-16-11-13-12-10(15-11)9-5-3-2-4-6-9;2*1-2-14-10-12-11-9(13-10)8-6-4-3-5-7-8/h11-13,15-16H,2-10,14,17H2,1H3;1-10,12H,11,13H2;1-3,8-10,12H,4-7,11H2;1-3,7-9,11H,4-6,10H2;1-9H,10H2;1-3,5-6,12H,4,7-10H2;1-7H,8H2;1-6,8H,7H2;3-7H,8-9H2,1-2H3;3-7,13H,2,8-9H2,1H3;2-6H,7-8H2,1H3;2*3-7H,2H2,1H3.
What are the key properties of 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole?
2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 3580.61 g/mol, XLogP of 43.14, 68 rotatable bonds, 1 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyltriazol-4-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-cyclobutyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;2-cyclopentyl-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole;N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole;2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole;N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine;bis(2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole);2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole;2-phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 161385267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).