3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

C82H95ClF3N23O4S — CID 158934308

About 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 158934308) has the molecular formula C82H95ClF3N23O4S and a molecular weight of 1591.33 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
• PubChem CID: 158934308
• Molecular Formula: C82H95ClF3N23O4S
• Molecular Weight: 1591.33 g/mol
• Exact Mass: 1589.73
• IUPAC Name: 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
• SMILES: CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccc(Cl)cc2)n[nH]1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2nc(C(C)C)no2)cc1
• InChI: InChI=1S/C12H14N2O.C11H12ClN3.C11H10F3N3O.C11H13N3.C11H12N2O.C10H12N4.C10H11N3O.C6H11N3S/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-4(2)5-7-8-6(10)9(5)3/h4-8H,1-3H3;3-7H,1-2H3,(H,13,14,15);3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;4H,1-3H3,(H,8,10)
• InChIKey: JJLOWZKRSJMDMO-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 352.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1591.33
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The IUPAC name of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 158934308) is 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The canonical SMILES for 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccc(Cl)cc2)n[nH]1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2nc(C(C)C)no2)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The InChIKey is JJLOWZKRSJMDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C11H12ClN3.C11H10F3N3O.C11H13N3.C11H12N2O.C10H12N4.C10H11N3O.C6H11N3S/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-7(2)10-13-11(15-14-10)8-3-5-9(12)6-4-8;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-4(2)5-7-8-6(10)9(5)3/h4-8H,1-3H3;3-7H,1-2H3,(H,13,14,15);3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;4H,1-3H3,(H,8,10).

What are the key properties of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 1591.33 g/mol, XLogP of 20.99, 15 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158934308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).