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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine

C122H115F3N32O11S10 — CID 159089456

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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine

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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine (PubChem CID 159089456) has the molecular formula C122H115F3N32O11S10 and a molecular weight of 2583.14 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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine.

Molecular Properties

• Compound Name: 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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
• PubChem CID: 159089456
• Molecular Formula: C122H115F3N32O11S10
• Molecular Weight: 2583.14 g/mol
• Exact Mass: 2580.66
• IUPAC Name: 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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
• SMILES: CN(C)CCSc1nnc(-c2ccccc2)o1.COCCSc1nnc(-c2ccccc2)o1.FC(F)(F)CNCCSc1nnc(-c2ccccc2)o1.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
• InChI: InChI=1S/C18H15N5OS.C16H17N5OS.C15H15N5OS.C14H11N3OS.C12H12F3N3OS.C12H9N3O2S.C12H9N3OS2.C12H15N3OS.C11H12N2O2S/c1-3-7-14(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;13-12(14,15)8-16-6-7-20-11-18-17-10(19-11)9-4-2-1-3-5-9;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;1-14-7-8-16-11-13-12-10(15-11)9-5-3-2-4-6-9/h1-10,12H,11,13H2;1-3,8-10,12H,4-7,11H2;1-3,7-9,11H,4-6,10H2;1-9H,10H2;1-5,16H,6-8H2;1-7H,8H2;1-6,8H,7H2;3-7H,8-9H2,1-2H3;2-6H,7-8H2,1H3
• InChIKey: KBWHGHLSVHYTQN-UHFFFAOYSA-N
• XLogP: 28.25
• TPSA: 518.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 53
• Rotatable Bonds: 44
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2583.14
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

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

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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?

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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine (CID 159089456) 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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine.

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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?

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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine is CN(C)CCSc1nnc(-c2ccccc2)o1.COCCSc1nnc(-c2ccccc2)o1.FC(F)(F)CNCCSc1nnc(-c2ccccc2)o1.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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?

The InChIKey is KBWHGHLSVHYTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS.C16H17N5OS.C15H15N5OS.C14H11N3OS.C12H12F3N3OS.C12H9N3O2S.C12H9N3OS2.C12H15N3OS.C11H12N2O2S/c1-3-7-14(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;13-12(14,15)8-16-6-7-20-11-18-17-10(19-11)9-4-2-1-3-5-9;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;1-14-7-8-16-11-13-12-10(15-11)9-5-3-2-4-6-9/h1-10,12H,11,13H2;1-3,8-10,12H,4-7,11H2;1-3,7-9,11H,4-6,10H2;1-9H,10H2;1-5,16H,6-8H2;1-7H,8H2;1-6,8H,7H2;3-7H,8-9H2,1-2H3;2-6H,7-8H2,1H3.

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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?

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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine has a molecular weight of 2583.14 g/mol, XLogP of 28.25, 44 rotatable bonds, 1 hydrogen bond donors, and 53 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-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;2,2,2-trifluoro-N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine is sourced from PubChem (CID 159089456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).