3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine

C89H116N12OS — CID 159638334

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine (PubChem CID 159638334) has the molecular formula C89H116N12OS and a molecular weight of 1402.06 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine
• PubChem CID: 159638334
• Molecular Formula: C89H116N12OS
• Molecular Weight: 1402.06 g/mol
• Exact Mass: 1400.91
• IUPAC Name: 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine
• SMILES: CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cccnc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnn2ccccc12.Cc1[nH]c2ccccc2c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1noc(C)c1C(C)C
• InChI: InChI=1S/2C12H15N.C11H13N.3C10H12N2.C8H13NO.C8H13NS.C8H11N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8/h4-9H,1-3H3;4-8,13H,1-3H3;3-8,12H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);2*5H,1-4H3;3-7H,1-2H3
• InChIKey: MQAGZKHVJSKORM-UHFFFAOYSA-N
• XLogP: 25.53
• TPSA: 162.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1402.06
LogP ≤ 5	25.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine?

The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine (CID 159638334) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine.

What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine?

The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine is CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cccnc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnn2ccccc12.Cc1[nH]c2ccccc2c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1noc(C)c1C(C)C.

What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine?

The InChIKey is MQAGZKHVJSKORM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.C11H13N.3C10H12N2.C8H13NO.C8H13NS.C8H11N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8/h4-9H,1-3H3;4-8,13H,1-3H3;3-8,12H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);2*5H,1-4H3;3-7H,1-2H3.

What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine?

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine has a molecular weight of 1402.06 g/mol, XLogP of 25.53, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine is sourced from PubChem (CID 159638334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).