3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

C36H53N19O3S2 — CID 162241421

About 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (PubChem CID 162241421) has the molecular formula C36H53N19O3S2 and a molecular weight of 864.08 g/mol. Its IUPAC name is 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
• PubChem CID: 162241421
• Molecular Formula: C36H53N19O3S2
• Molecular Weight: 864.08 g/mol
• Exact Mass: 863.40
• IUPAC Name: 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
• SMILES: CC1=NCON1.Cc1ncco1.Cc1nccs1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1
• InChI: InChI=1S/C5H7N.2C4H6N2.C4H5NO.C4H5NS.2C3H5N3.C3H4N2O.C3H6N2O.C3H4N2S/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3/h2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;2H,1H3;2H2,1H3,(H,4,5);2H,1H3
• InChIKey: ZWTHJZOZIPVOHU-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 239.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	864.08
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

The IUPAC name of 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (CID 162241421) is 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

What is the SMILES notation for 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

The canonical SMILES for 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is CC1=NCON1.Cc1ncco1.Cc1nccs1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.

What is the InChIKey of 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

The InChIKey is ZWTHJZOZIPVOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C4H6N2.C4H5NO.C4H5NS.2C3H5N3.C3H4N2O.C3H6N2O.C3H4N2S/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3/h2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;2H,1H3;2H2,1H3,(H,4,5);2H,1H3.

What are the key properties of 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?

3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole has a molecular weight of 864.08 g/mol, XLogP of 5.05, 0 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2,5-dihydro-1,2,4-oxadiazole;1-methylimidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 162241421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).