3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)

C42H58N22O5S3 — CID 158409838

About 3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)

3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole) (PubChem CID 158409838) has the molecular formula C42H58N22O5S3 and a molecular weight of 1047.28 g/mol. Its IUPAC name is 3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 158409838
• Molecular Formula: C42H58N22O5S3
• Molecular Weight: 1047.28 g/mol
• Exact Mass: 1046.41
• IUPAC Name: 3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
• SMILES: Cc1ccoc1.Cc1ccsc1.Cc1cnc[nH]1.Cc1cnno1.Cc1conn1.Cc1ncc[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncno1.Cc1ncns1.Cc1nnco1.Cc1nncs1
• InChI: InChI=1S/C5H6O.C5H6S.2C4H6N2.2C3H5N3.4C3H4N2O.2C3H4N2S/c2*1-5-2-3-6-4-5;1-4-2-5-3-6-4;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/h2*2-4H,1H3;2*2-3H,1H3,(H,5,6);2*2H,1H3,(H,4,5,6);6*2H,1H3
• InChIKey: GZDXLTBVXOMNOV-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 360.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1047.28
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole) (CID 158409838) is 3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole).

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

The canonical SMILES for 3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole) is Cc1ccoc1.Cc1ccsc1.Cc1cnc[nH]1.Cc1cnno1.Cc1conn1.Cc1ncc[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncno1.Cc1ncns1.Cc1nnco1.Cc1nncs1.

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

The InChIKey is GZDXLTBVXOMNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.C5H6S.2C4H6N2.2C3H5N3.4C3H4N2O.2C3H4N2S/c2*1-5-2-3-6-4-5;1-4-2-5-3-6-4;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/h2*2-4H,1H3;2*2-3H,1H3,(H,5,6);2*2H,1H3,(H,4,5,6);6*2H,1H3.

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

3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole) has a molecular weight of 1047.28 g/mol, XLogP of 8.51, 0 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methylfuran;2-methyl-1H-imidazole;5-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;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 158409838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).