3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene

C52H64N12O4S6 — CID 158098623

About 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene

3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene (PubChem CID 158098623) has the molecular formula C52H64N12O4S6 and a molecular weight of 1113.57 g/mol. Its IUPAC name is 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene.

Molecular Properties

• Compound Name: 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
• PubChem CID: 158098623
• Molecular Formula: C52H64N12O4S6
• Molecular Weight: 1113.57 g/mol
• Exact Mass: 1112.35
• IUPAC Name: 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
• SMILES: Cc1ccccc1.Cc1ccccn1.Cc1cccs1.Cc1ccsc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1nccs1.Cc1ncno1.Cc1ncon1.Cc1nncs1
• InChI: InChI=1S/C7H8.C6H7N.2C5H6S.2C4H5NO.3C4H5NS.2C3H4N2O.C3H4N2S/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-3-4-2-6-5-3;1-3-4-2-5-6-3;1-3-5-4-2-6-3/h2-6H,1H3;2-5H,1H3;2*2-4H,1H3;5*2-3H,1H3;3*2H,1H3
• InChIKey: FOYYYVXHMHSNOZ-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 207.24 Ų
• H-Bond Acceptors: 22
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1113.57
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene?

The IUPAC name of 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene (CID 158098623) is 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene.

What is the SMILES notation for 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene?

The canonical SMILES for 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene is Cc1ccccc1.Cc1ccccn1.Cc1cccs1.Cc1ccsc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1nccs1.Cc1ncno1.Cc1ncon1.Cc1nncs1.

What is the InChIKey of 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene?

The InChIKey is FOYYYVXHMHSNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H7N.2C5H6S.2C4H5NO.3C4H5NS.2C3H4N2O.C3H4N2S/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-3-4-2-6-5-3;1-3-4-2-5-6-3;1-3-5-4-2-6-3/h2-6H,1H3;2-5H,1H3;2*2-4H,1H3;5*2-3H,1H3;3*2H,1H3.

What are the key properties of 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene?

3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene has a molecular weight of 1113.57 g/mol, XLogP of 15.42, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene is sourced from PubChem (CID 158098623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).