2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene

C81H134N16OS — CID 158066354

About 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene

2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene (PubChem CID 158066354) has the molecular formula C81H134N16OS and a molecular weight of 1380.14 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene
• PubChem CID: 158066354
• Molecular Formula: C81H134N16OS
• Molecular Weight: 1380.14 g/mol
• Exact Mass: 1379.06
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnn1.Cc1ccncn1.Cc1cnccn1.Cc1ncccn1.Cc1nccs1.Cc1nnc(C)o1
• InChI: InChI=1S/2C8H8N2.C7H8.C6H7N.4C5H6N2.C4H6N2O.C4H5NS.C4H8.10C2H6/c1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-3-5-6-4(2)7-3;1-4-5-2-3-6-4;1-4-2-3-4;10*1-2/h2*2-5H,1H3,(H,9,10);2-6H,1H3;2-5H,1H3;4*2-4H,1H3;1-2H3;2-3H,1H3;4H,2-3H2,1H3;10*1-2H3
• InChIKey: FLGSCKZEBMJJNK-UHFFFAOYSA-N
• XLogP: 24.08
• TPSA: 225.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.14
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene (CID 158066354) is 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnn1.Cc1ccncn1.Cc1cnccn1.Cc1ncccn1.Cc1nccs1.Cc1nnc(C)o1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene?

The InChIKey is FLGSCKZEBMJJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8N2.C7H8.C6H7N.4C5H6N2.C4H6N2O.C4H5NS.C4H8.10C2H6/c1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-3-5-6-4(2)7-3;1-4-5-2-3-6-4;1-4-2-3-4;10*1-2/h2*2-5H,1H3,(H,9,10);2-6H,1H3;2-5H,1H3;4*2-4H,1H3;1-2H3;2-3H,1H3;4H,2-3H2,1H3;10*1-2H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene?

2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene has a molecular weight of 1380.14 g/mol, XLogP of 24.08, 0 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;ethane;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene is sourced from PubChem (CID 158066354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).