ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)

C88H179N21O4S5 — CID 158232674

About ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)

ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole) (PubChem CID 158232674) has the molecular formula C88H179N21O4S5 and a molecular weight of 1755.88 g/mol. Its IUPAC name is ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 158232674
• Molecular Formula: C88H179N21O4S5
• Molecular Weight: 1755.88 g/mol
• Exact Mass: 1754.31
• IUPAC Name: ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncon1.Cc1ncsn1.Cc1nnco1.Cc1nncs1
• InChI: InChI=1S/2C6H7N.2C4H5NO.3C4H5NS.2C3H5N3.2C3H4N2O.2C3H4N2S.19C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;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;2*1-3-4-2-5-6-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;19*1-2/h2*2-5H,1H3;5*2-3H,1H3;2*2H,1H3,(H,4,5,6);4*2H,1H3;19*1-2H3
• InChIKey: GEONLHBPACFVLU-UHFFFAOYSA-N
• XLogP: 31.27
• TPSA: 329.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1755.88
LogP ≤ 5	31.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

The IUPAC name of ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole) (CID 158232674) is ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole).

What is the SMILES notation for ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

The canonical SMILES for ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncon1.Cc1ncsn1.Cc1nnco1.Cc1nncs1.

What is the InChIKey of ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

The InChIKey is GEONLHBPACFVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.2C4H5NO.3C4H5NS.2C3H5N3.2C3H4N2O.2C3H4N2S.19C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;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;2*1-3-4-2-5-6-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;19*1-2/h2*2-5H,1H3;5*2-3H,1H3;2*2H,1H3,(H,4,5,6);4*2H,1H3;19*1-2H3.

What are the key properties of ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole) has a molecular weight of 1755.88 g/mol, XLogP of 31.27, 0 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 158232674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).