2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole

C129H223N25O7S4 — CID 159267913

About 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole

2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole (PubChem CID 159267913) has the molecular formula C129H223N25O7S4 and a molecular weight of 2364.64 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole
• PubChem CID: 159267913
• Molecular Formula: C129H223N25O7S4
• Molecular Weight: 2364.64 g/mol
• Exact Mass: 2362.67
• IUPAC Name: 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole
• SMILES: CC(C)C1=CC(C(C)C)=NC1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
• InChI: InChI=1S/C10H17N.2C9H16N2.4C9H15NO.C9H15NS.C8H15N3.3C8H14N2O.3C8H14N2S/c1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;3*1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7/h5,7-8H,6H2,1-4H3;5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);6*5-6H,1-4H3
• InChIKey: KXIJZBCZCAIWAA-UHFFFAOYSA-N
• XLogP: 40.35
• TPSA: 411.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2364.64
LogP ≤ 5	40.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole?

The IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole (CID 159267913) is 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole.

What is the SMILES notation for 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole?

The canonical SMILES for 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole is CC(C)C1=CC(C(C)C)=NC1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.

What is the InChIKey of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole?

The InChIKey is KXIJZBCZCAIWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.2C9H16N2.4C9H15NO.C9H15NS.C8H15N3.3C8H14N2O.3C8H14N2S/c1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;3*1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7/h5,7-8H,6H2,1-4H3;5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);6*5-6H,1-4H3.

What are the key properties of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole?

2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole has a molecular weight of 2364.64 g/mol, XLogP of 40.35, 30 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-2H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 159267913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).