3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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

C153H207ClF3N35O4S4 — CID 161154626

About 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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 161154626) has the molecular formula C153H207ClF3N35O4S4 and a molecular weight of 2821.29 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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: 161154626
• Molecular Formula: C153H207ClF3N35O4S4
• Molecular Weight: 2821.29 g/mol
• Exact Mass: 2818.56
• IUPAC Name: 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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: C.C.C.C.C.CC(C)C1=CN=CC1.CC(C)c1cnc(C(C)C)[nH]1.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)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(-c2nc(C(C)C)no2)cc1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C
• InChI: InChI=1S/C12H14N2O.C12H14N2S.C12H13NS.C11H12ClN3.C11H10F3N3O.C11H13N3.C11H12N2O.C11H12N2S.C10H12N4.C10H11N3O.C9H16N2.C8H14N2.C7H12N2.C7H11N.C6H11N3S.5CH4/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;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;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9-7(3)10(8)4;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;1-4(2)5-7-8-6(10)9(5)3;;;;;/h2*4-8H,1-3H3;3-9H,1-2H3;3-7H,1-2H3,(H,13,14,15);3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3;4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;4H,1-3H3,(H,8,10);5*1H4
• InChIKey: UPDCBGJNWMAMJK-UHFFFAOYSA-N
• XLogP: 43.42
• TPSA: 504.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2821.29
LogP ≤ 5	43.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

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;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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 161154626) is 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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 C.C.C.C.C.CC(C)C1=CN=CC1.CC(C)c1cnc(C(C)C)[nH]1.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)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(-c2nc(C(C)C)no2)cc1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C.

What is the InChIKey of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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 UPDCBGJNWMAMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C12H14N2S.C12H13NS.C11H12ClN3.C11H10F3N3O.C11H13N3.C11H12N2O.C11H12N2S.C10H12N4.C10H11N3O.C9H16N2.C8H14N2.C7H12N2.C7H11N.C6H11N3S.5CH4/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;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;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9-7(3)10(8)4;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;1-4(2)5-7-8-6(10)9(5)3;;;;;/h2*4-8H,1-3H3;3-9H,1-2H3;3-7H,1-2H3,(H,13,14,15);3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3;4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;4H,1-3H3,(H,8,10);5*1H4.

What are the key properties of 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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 2821.29 g/mol, XLogP of 43.42, 26 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;methane;5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-propan-2-yl-3H-pyrrole;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 161154626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).