5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

C136H168Cl2F3N21O5S8 — CID 157320134

About 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 157320134) has the molecular formula C136H168Cl2F3N21O5S8 and a molecular weight of 2561.42 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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
• PubChem CID: 157320134
• Molecular Formula: C136H168Cl2F3N21O5S8
• Molecular Weight: 2561.42 g/mol
• Exact Mass: 2558.06
• 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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
• SMILES: CC(C)c1ccc(C(C)C)s1.CC(C)c1ccoc1.CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccc(Cl)cc2)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(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cscc1C(C)C
• InChI: InChI=1S/C12H14N2S.C12H13NS.C11H12ClN3.C11H11ClN2O.C11H10F3N3O.C11H12N2O.C11H12N2S.C10H11N3O.C10H16S.3C8H12S.C7H10O.C6H11N3S/c1-8(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;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;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;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-9-4-7(8)3;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-3-4-8-5-7;1-4(2)5-7-8-6(10)9(5)3/h4-8H,1-3H3;3-9H,1-2H3;3-7H,1-2H3,(H,13,14,15);3-7H,1-2H3;3-6H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;5-8H,1-4H3;3*4-6H,1-3H3;3-6H,1-2H3;4H,1-3H3,(H,8,10)
• InChIKey: BEBIHECFWOXFFI-UHFFFAOYSA-N
• XLogP: 43.59
• TPSA: 334.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2561.42
LogP ≤ 5	43.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 157320134) is 5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is CC(C)c1ccc(C(C)C)s1.CC(C)c1ccoc1.CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccc(Cl)cc2)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(-c2ccc(Cl)cc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)C)s1.Cc1ccsc1C(C)C.Cc1cscc1C(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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?

The InChIKey is BEBIHECFWOXFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.C12H13NS.C11H12ClN3.C11H11ClN2O.C11H10F3N3O.C11H12N2O.C11H12N2S.C10H11N3O.C10H16S.3C8H12S.C7H10O.C6H11N3S/c1-8(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;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;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;1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-9-4-7(8)3;1-6(2)8-7(3)4-5-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-3-4-8-5-7;1-4(2)5-7-8-6(10)9(5)3/h4-8H,1-3H3;3-9H,1-2H3;3-7H,1-2H3,(H,13,14,15);3-7H,1-2H3;3-6H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;5-8H,1-4H3;3*4-6H,1-3H3;3-6H,1-2H3;4H,1-3H3,(H,8,10).

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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 2561.42 g/mol, XLogP of 43.59, 23 rotatable bonds, 2 hydrogen bond donors, and 32 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;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;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-propan-2-ylfuran;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 157320134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).