ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)

C53H106N20O5S2 — CID 157063827

About ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)

ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) (PubChem CID 157063827) has the molecular formula C53H106N20O5S2 and a molecular weight of 1167.70 g/mol. Its IUPAC name is ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 157063827
• Molecular Formula: C53H106N20O5S2
• Molecular Weight: 1167.70 g/mol
• Exact Mass: 1166.81
• IUPAC Name: ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccoc1.Cc1cnno1.Cc1conn1.Cc1ncc[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncno1.Cc1ncns1.Cc1nnco1.Cc1nncs1
• InChI: InChI=1S/C5H6O.C4H6N2.2C3H5N3.4C3H4N2O.2C3H4N2S.10C2H6/c1-5-2-3-6-4-5;1-4-5-2-3-6-4;2*1-3-4-2-5-6-3;1-3-5-4-2-6-3;1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;1-3-5-4-2-6-3;1-3-4-2-5-6-3;10*1-2/h2-4H,1H3;2-3H,1H3,(H,5,6);2*2H,1H3,(H,4,5,6);6*2H,1H3;10*1-2H3
• InChIKey: ABQGNYJIAAANRS-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 332.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.70
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)?

The IUPAC name of ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) (CID 157063827) is ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole).

What is the SMILES notation for ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)?

The canonical SMILES for ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccoc1.Cc1cnno1.Cc1conn1.Cc1ncc[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncno1.Cc1ncns1.Cc1nnco1.Cc1nncs1.

What is the InChIKey of ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)?

The InChIKey is ABQGNYJIAAANRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.C4H6N2.2C3H5N3.4C3H4N2O.2C3H4N2S.10C2H6/c1-5-2-3-6-4-5;1-4-5-2-3-6-4;2*1-3-4-2-5-6-3;1-3-5-4-2-6-3;1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;1-3-5-4-2-6-3;1-3-4-2-5-6-3;10*1-2/h2-4H,1H3;2-3H,1H3,(H,5,6);2*2H,1H3,(H,4,5,6);6*2H,1H3;10*1-2H3.

What are the key properties of ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)?

ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) has a molecular weight of 1167.70 g/mol, XLogP of 16.00, 0 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 157063827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).