5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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

C185H255Cl2F3N28O7S2 — CID 159633643

About 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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

5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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 159633643) has the molecular formula C185H255Cl2F3N28O7S2 and a molecular weight of 3175.30 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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: 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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: 159633643
• Molecular Formula: C185H255Cl2F3N28O7S2
• Molecular Weight: 3175.30 g/mol
• Exact Mass: 3171.92
• IUPAC Name: 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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: C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1cccc2ccccc12.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(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.CCOc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
• InChI: InChI=1S/C13H14.C12H14N2S.C11H12ClN3.C11H11ClN2O.C11H10F3N3O.C11H13N3.C11H12N2O.C11H13N.C10H12N4.C10H11N3O.C10H15NO.C10H14O.3C10H14.C8H11NO.C6H11N3S.10CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;2*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)9-3-4-11-10(7-9)5-6-12-11;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-4-12-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-4(2)5-7-8-6(10)9(5)3;;;;;;;;;;/h3-10H,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,13,14,15);3-7H,1-2H3;3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;3-7H,1-2H3;4H,1-3H3,(H,8,10);10*1H4
• InChIKey: MPLNLRLLSAZFCZ-UHFFFAOYSA-N
• XLogP: 54.81
• TPSA: 452.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3175.30
LogP ≤ 5	54.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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 159633643) is 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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 C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc[n+]([O-])c1.CC(C)c1cccc2ccccc12.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(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.CCOc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.

What is the InChIKey of 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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 MPLNLRLLSAZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C12H14N2S.C11H12ClN3.C11H11ClN2O.C11H10F3N3O.C11H13N3.C11H12N2O.C11H13N.C10H12N4.C10H11N3O.C10H15NO.C10H14O.3C10H14.C8H11NO.C6H11N3S.10CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;2*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)9-3-4-11-10(7-9)5-6-12-11;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-4-12-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-4(2)5-7-8-6(10)9(5)3;;;;;;;;;;/h3-10H,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,13,14,15);3-7H,1-2H3;3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;3-7H,1-2H3;4H,1-3H3,(H,8,10);10*1H4.

What are the key properties of 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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?

5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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 3175.30 g/mol, XLogP of 54.81, 28 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2-ethoxy-5-propan-2-ylpyridine;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);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;1-oxido-3-propan-2-ylpyridin-1-ium;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;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 159633643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).