methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole

C113H227N21O3S3 — CID 159089238

About methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole

methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole (PubChem CID 159089238) has the molecular formula C113H227N21O3S3 and a molecular weight of 2024.40 g/mol. Its IUPAC name is methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole.

Molecular Properties

• Compound Name: methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole
• PubChem CID: 159089238
• Molecular Formula: C113H227N21O3S3
• Molecular Weight: 2024.40 g/mol
• Exact Mass: 2022.74
• IUPAC Name: methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole
• SMILES: C.C.C.C.C.CC(C)C1=NCC=N1.CC(C)C1=NCN=N1.CC(C)c1ccccn1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1nnco1.CC(C)c1nncs1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
• InChI: InChI=1S/C8H11N.2C7H10N2.2C6H10N2.C6H9NO.2C6H9NS.C5H9N3.2C5H8N2O.C5H8N2S.12C3H8.5CH4/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;5*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;12*1-3-2;;;;;/h3-7H,1-2H3;2*3-6H,1-2H3;3,5H,4H2,1-2H3;3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;4H,3H2,1-2H3;3*3-4H,1-2H3;12*3H2,1-2H3;5*1H4
• InChIKey: KBVPDHYYRGQLTC-UHFFFAOYSA-N
• XLogP: 40.08
• TPSA: 310.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2024.40
LogP ≤ 5	40.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole?

The IUPAC name of methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole (CID 159089238) is methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole.

What is the SMILES notation for methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole?

The canonical SMILES for methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole is C.C.C.C.C.CC(C)C1=NCC=N1.CC(C)C1=NCN=N1.CC(C)c1ccccn1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1nnco1.CC(C)c1nncs1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.

What is the InChIKey of methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole?

The InChIKey is KBVPDHYYRGQLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.2C7H10N2.2C6H10N2.C6H9NO.2C6H9NS.C5H9N3.2C5H8N2O.C5H8N2S.12C3H8.5CH4/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;5*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;12*1-3-2;;;;;/h3-7H,1-2H3;2*3-6H,1-2H3;3,5H,4H2,1-2H3;3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;4H,3H2,1-2H3;3*3-4H,1-2H3;12*3H2,1-2H3;5*1H4.

What are the key properties of methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole?

methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole has a molecular weight of 2024.40 g/mol, XLogP of 40.08, 12 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for methane;propane;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-3H-1,2,4-triazole is sourced from PubChem (CID 159089238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).