5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine

C137H164N34O4S4 — CID 160621005

About 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 160621005) has the molecular formula C137H164N34O4S4 and a molecular weight of 2479.32 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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine
• PubChem CID: 160621005
• Molecular Formula: C137H164N34O4S4
• Molecular Weight: 2479.32 g/mol
• Exact Mass: 2477.26
• 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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine
• SMILES: CC(C)c1cccc2c1nnn2C.CC(C)c1cccc2n[nH]nc12.CC(C)c1n[nH]c(=S)n1C.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(-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.C12H13NS.C11H13N3O.C11H13N3.C11H12N2O.C11H12N2S.C10H12N4.C10H11N3O.C10H13N3.C9H11N3.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;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;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;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;1-7(2)8-5-4-6-9-10(8)11-12-13(9)3;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-4(2)5-7-8-6(10)9(5)3/h4-8H,1-3H3,(H,13,14,15);2*4-8H,1-3H3;3-9H,1-2H3;4-7H,1-3H3;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;4-7H,1-3H3;3-6H,1-2H3,(H,10,11,12);4H,1-3H3,(H,8,10)
• InChIKey: RGRXHOYXOPGOBI-UHFFFAOYSA-N
• XLogP: 35.01
• TPSA: 489.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2479.32
LogP ≤ 5	35.01
H-Bond Donors ≤ 5	5
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 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 160621005) is 5-(4-methylphenyl)-3-propan-2-yl-1,2,4-oxadiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine is CC(C)c1cccc2c1nnn2C.CC(C)c1cccc2n[nH]nc12.CC(C)c1n[nH]c(=S)n1C.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(-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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine?

The InChIKey is RGRXHOYXOPGOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C12H14N2O.C12H14N2S.C12H13NS.C11H13N3O.C11H13N3.C11H12N2O.C11H12N2S.C10H12N4.C10H11N3O.C10H13N3.C9H11N3.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;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;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;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;1-7(2)8-5-4-6-9-10(8)11-12-13(9)3;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-4(2)5-7-8-6(10)9(5)3/h4-8H,1-3H3,(H,13,14,15);2*4-8H,1-3H3;3-9H,1-2H3;4-7H,1-3H3;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;4-7H,1-3H3;3-6H,1-2H3,(H,10,11,12);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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 2479.32 g/mol, XLogP of 35.01, 23 rotatable bonds, 5 hydrogen bond donors, and 37 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;1-methyl-4-propan-2-ylbenzotriazole;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;5-phenyl-2-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 160621005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).