2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole)

C46H87N19O3S — CID 161070560

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole)

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole) (PubChem CID 161070560) has the molecular formula C46H87N19O3S and a molecular weight of 986.40 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 161070560
• Molecular Formula: C46H87N19O3S
• Molecular Weight: 986.40 g/mol
• Exact Mass: 985.70
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole)
• SMILES: CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccno1.Cc1cnc[nH]1.Cc1ncc[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1
• InChI: InChI=1S/2C4H6N2O.C4H6N2S.3C4H6N2.C4H5NO.2C3H5N3.6C2H6/c1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;2*1-4-2-3-5-6-4;2*1-3-4-2-5-6-3;6*1-2/h3*1-2H3;3*2-3H,1H3,(H,5,6);2-3H,1H3;2*2H,1H3,(H,4,5,6);6*1-2H3
• InChIKey: UEPCIRRPOMUKFS-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 298.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	986.40
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole) (CID 161070560) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole).

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

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole) is CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccno1.Cc1cnc[nH]1.Cc1ncc[nH]1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.

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

The InChIKey is UEPCIRRPOMUKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2O.C4H6N2S.3C4H6N2.C4H5NO.2C3H5N3.6C2H6/c1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;2*1-4-2-3-5-6-4;2*1-3-4-2-5-6-3;6*1-2/h3*1-2H3;3*2-3H,1H3,(H,5,6);2-3H,1H3;2*2H,1H3,(H,4,5,6);6*1-2H3.

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

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole) has a molecular weight of 986.40 g/mol, XLogP of 12.05, 0 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;bis(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 161070560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).