5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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

C95H115N25O4S2 — CID 158035750

About 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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

5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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 (PubChem CID 158035750) has the molecular formula C95H115N25O4S2 and a molecular weight of 1735.27 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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.

Molecular Properties

• Compound Name: 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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
• PubChem CID: 158035750
• Molecular Formula: C95H115N25O4S2
• Molecular Weight: 1735.27 g/mol
• Exact Mass: 1733.90
• IUPAC Name: 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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
• SMILES: CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1.Cc1ccc(-c2nc(C(C)C)no2)cc1.Cc1ccc(-c2nc(C(C)C)no2)cn1
• InChI: InChI=1S/C12H15N3.C12H14N2O.C12H14N2S.C11H13N3O.C11H13N3.C11H12N2O.C10H12N4.C10H11N3O.C6H11N3S/c2*1-8(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;1-7(2)10-13-11(15-14-10)9-5-4-8(3)12-6-9;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,(H,13,14,15);2*4-8H,1-3H3;4-7H,1-3H3;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: FHSMJGQVDZVNIQ-UHFFFAOYSA-N
• XLogP: 23.57
• TPSA: 378.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1735.27
LogP ≤ 5	23.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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?

The IUPAC name of 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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 (CID 158035750) is 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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.

What is the SMILES notation for 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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?

The canonical SMILES for 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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 is CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1.Cc1ccc(-c2nc(C(C)C)no2)cc1.Cc1ccc(-c2nc(C(C)C)no2)cn1.

What is the InChIKey of 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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?

The InChIKey is FHSMJGQVDZVNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C12H14N2O.C12H14N2S.C11H13N3O.C11H13N3.C11H12N2O.C10H12N4.C10H11N3O.C6H11N3S/c2*1-8(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;1-7(2)10-13-11(15-14-10)9-5-4-8(3)12-6-9;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,(H,13,14,15);2*4-8H,1-3H3;4-7H,1-3H3;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 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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?

5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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 has a molecular weight of 1735.27 g/mol, XLogP of 23.57, 17 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;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 is sourced from PubChem (CID 158035750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).