2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole

C51H82N28O4S — CID 160509781

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole (PubChem CID 160509781) has the molecular formula C51H82N28O4S and a molecular weight of 1183.48 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole
• PubChem CID: 160509781
• Molecular Formula: C51H82N28O4S
• Molecular Weight: 1183.48 g/mol
• Exact Mass: 1182.68
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole
• SMILES: CC1=NC(C)N=N1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cn(C)nn1.Cc1cn(C)nn1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1ncn(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnn(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/2C5H8N2.2C5H7NO.4C4H7N3.2C4H6N2O.C4H6N2S.C3H6N4/c2*1-5-3-6-7(2)4-5;2*1-4-3-5(2)7-6-4;1-4-5-3-7(2)6-4;2*1-4-3-7(2)6-5-4;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;1-3-4-6-7(2)5-3/h2*3-4H,1-2H3;6*3H,1-2H3;4*1-2H3
• InChIKey: QSWWTFQVXGBCRI-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 364.13 Ų
• H-Bond Acceptors: 33
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.48
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole (CID 160509781) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole is CC1=NC(C)N=N1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1cn(C)nn1.Cc1cn(C)nn1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1ncn(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnn(C)n1.Cc1noc(C)n1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole?

The InChIKey is QSWWTFQVXGBCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2.2C5H7NO.4C4H7N3.2C4H6N2O.C4H6N2S.C3H6N4/c2*1-5-3-6-7(2)4-5;2*1-4-3-5(2)7-6-4;1-4-5-3-7(2)6-4;2*1-4-3-7(2)6-5-4;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;1-3-4-6-7(2)5-3/h2*3-4H,1-2H3;6*3H,1-2H3;4*1-2H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole?

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole has a molecular weight of 1183.48 g/mol, XLogP of 7.67, 0 rotatable bonds, 0 hydrogen bond donors, and 33 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;bis(3,5-dimethyl-1,2-oxazole);bis(1,4-dimethylpyrazole);2,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;1,3-dimethyl-1,2,4-triazole;bis(1,4-dimethyltriazole);3,5-dimethyl-3H-1,2,4-triazole is sourced from PubChem (CID 160509781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).