2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C85H77Cl3N30O10 — CID 158853801

About 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 158853801) has the molecular formula C85H77Cl3N30O10 and a molecular weight of 1785.11 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
• PubChem CID: 158853801
• Molecular Formula: C85H77Cl3N30O10
• Molecular Weight: 1785.11 g/mol
• Exact Mass: 1782.55
• IUPAC Name: 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
• SMILES: CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nn(C)c(=O)o3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3noc(=O)n3C)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3nnco3)n2)c1.Clc1cccc(-c2ncn(/C=C/c3nnco3)n2)c1.Clc1cccc(-c2ncn(/C=C\c3nnco3)n2)c1
• InChI: InChI=1S/C16H17N5O2.C15H14ClN5O2.2C15H15N5O2.2C12H8ClN5O/c1-11(2)23-14-7-12(3)6-13(8-14)16-17-9-21(20-16)5-4-15-19-18-10-22-15;1-10(2)23-13-6-11(5-12(16)7-13)15-17-8-21(20-15)4-3-14-19-18-9-22-14;1-10-6-11(2)8-12(7-10)14-16-9-20(17-14)5-4-13-18-22-15(21)19(13)3;1-10-6-11(2)8-12(7-10)14-16-9-20(18-14)5-4-13-17-19(3)15(21)22-13;2*13-10-3-1-2-9(6-10)12-14-7-18(17-12)5-4-11-16-15-8-19-11/h4-11H,1-3H3;3-10H,1-2H3;2*4-9H,1-3H3;2*1-8H/b5-4-;4-3-;2*5-4-;5-4+;5-4-
• InChIKey: IZUBFVDQTMVRAU-UGHQMDBKSA-N
• XLogP: 15.42
• TPSA: 454.46 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1785.11
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 158853801) is 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3nn(C)c(=O)o3)n2)c1.Cc1cc(C)cc(-c2ncn(/C=C\c3noc(=O)n3C)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3nnco3)n2)c1.Clc1cccc(-c2ncn(/C=C/c3nnco3)n2)c1.Clc1cccc(-c2ncn(/C=C\c3nnco3)n2)c1.

What is the InChIKey of 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

The InChIKey is IZUBFVDQTMVRAU-UGHQMDBKSA-N. The full InChI is InChI=1S/C16H17N5O2.C15H14ClN5O2.2C15H15N5O2.2C12H8ClN5O/c1-11(2)23-14-7-12(3)6-13(8-14)16-17-9-21(20-16)5-4-15-19-18-10-22-15;1-10(2)23-13-6-11(5-12(16)7-13)15-17-8-21(20-15)4-3-14-19-18-9-22-14;1-10-6-11(2)8-12(7-10)14-16-9-20(17-14)5-4-13-18-22-15(21)19(13)3;1-10-6-11(2)8-12(7-10)14-16-9-20(18-14)5-4-13-17-19(3)15(21)22-13;2*13-10-3-1-2-9(6-10)12-14-7-18(17-12)5-4-11-16-15-8-19-11/h4-11H,1-3H3;3-10H,1-2H3;2*4-9H,1-3H3;2*1-8H/b5-4-;4-3-;2*5-4-;5-4+;5-4-.

What are the key properties of 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?

2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 1785.11 g/mol, XLogP of 15.42, 22 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(E)-2-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;3-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-4-methyl-1,2,4-oxadiazol-5-one;5-[(Z)-2-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]ethenyl]-3-methyl-1,3,4-oxadiazol-2-one;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 158853801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).