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

C44H79N19O3S — CID 158296831

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

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole (PubChem CID 158296831) has the molecular formula C44H79N19O3S and a molecular weight of 954.31 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;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole.

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;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole
• PubChem CID: 158296831
• Molecular Formula: C44H79N19O3S
• Molecular Weight: 954.31 g/mol
• Exact Mass: 953.63
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole
• SMILES: CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccno1.Cc1cnc[nH]1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.Cc1ncc[nH]1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1
• InChI: InChI=1S/2C4H7N3.2C4H6N2O.C4H6N2S.3C4H6N2.C4H5NO.4C2H6/c2*1-3-5-4(2)7-6-3;1-3-5-6-4(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;4*1-2/h2*1-2H3,(H,5,6,7);3*1-2H3;3*2-3H,1H3,(H,5,6);2-3H,1H3;4*1-2H3
• InChIKey: GMABBAFPSXTIBV-UHFFFAOYSA-N
• XLogP: 10.61
• TPSA: 298.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	954.31
LogP ≤ 5	10.61
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;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole?

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;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole (CID 158296831) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole.

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

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;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole is CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccno1.Cc1cnc[nH]1.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.Cc1ncc[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;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole?

The InChIKey is GMABBAFPSXTIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7N3.2C4H6N2O.C4H6N2S.3C4H6N2.C4H5NO.4C2H6/c2*1-3-5-4(2)7-6-3;1-3-5-6-4(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;4*1-2/h2*1-2H3,(H,5,6,7);3*1-2H3;3*2-3H,1H3,(H,5,6);2-3H,1H3;4*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;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole?

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole has a molecular weight of 954.31 g/mol, XLogP of 10.61, 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;bis(3,5-dimethyl-1H-1,2,4-triazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole is sourced from PubChem (CID 158296831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).