5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole

C46H61N21O5S6 — CID 158720086

About 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole

5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole (PubChem CID 158720086) has the molecular formula C46H61N21O5S6 and a molecular weight of 1180.54 g/mol. Its IUPAC name is 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
• PubChem CID: 158720086
• Molecular Formula: C46H61N21O5S6
• Molecular Weight: 1180.54 g/mol
• Exact Mass: 1179.35
• IUPAC Name: 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
• SMILES: Cc1ccon1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnns1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1csnn1.Cc1ncn[nH]1.Cc1ncon1.Cc1ncsn1
• InChI: InChI=1S/C4H6N2.3C4H5NO.3C4H5NS.C3H5N3.2C3H4N2O.3C3H4N2S/c1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-3-4-2-5-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3/h2-3H,1H3,(H,5,6);6*2-3H,1H3;2H,1H3,(H,4,5,6);5*2H,1H3
• InChIKey: IJUODIOVUFGQPR-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 342.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1180.54
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole?

The IUPAC name of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole (CID 158720086) is 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole.

What is the SMILES notation for 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole?

The canonical SMILES for 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole is Cc1ccon1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnns1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1csnn1.Cc1ncn[nH]1.Cc1ncon1.Cc1ncsn1.

What is the InChIKey of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole?

The InChIKey is IJUODIOVUFGQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.3C4H5NO.3C4H5NS.C3H5N3.2C3H4N2O.3C3H4N2S/c1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-3-4-2-5-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3/h2-3H,1H3,(H,5,6);6*2-3H,1H3;2H,1H3,(H,4,5,6);5*2H,1H3.

What are the key properties of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole?

5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 1180.54 g/mol, XLogP of 11.43, 0 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 158720086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).