2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole

C38H70N12O4S — CID 158525242

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole (PubChem CID 158525242) has the molecular formula C38H70N12O4S and a molecular weight of 791.12 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);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole.

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);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole
• PubChem CID: 158525242
• Molecular Formula: C38H70N12O4S
• Molecular Weight: 791.12 g/mol
• Exact Mass: 790.54
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole
• SMILES: C.C.C.C.C.Cc1cc(C)[nH]n1.Cc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1
• InChI: InChI=1S/C6H10N2.C5H8N2.2C5H7NO.2C4H6N2O.C4H6N2S.5CH4/c1-5-4-6(2)8(3)7-5;3*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;;;/h4H,1-3H3;3H,1-2H3,(H,6,7);2*3H,1-2H3;3*1-2H3;5*1H4
• InChIKey: HMSBBAXKNPYONN-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 202.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	791.12
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

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);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole?

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);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole (CID 158525242) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole.

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);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole?

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);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole is C.C.C.C.C.Cc1cc(C)[nH]n1.Cc1cc(C)n(C)n1.Cc1cc(C)on1.Cc1cc(C)on1.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;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole?

The InChIKey is HMSBBAXKNPYONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C5H8N2.2C5H7NO.2C4H6N2O.C4H6N2S.5CH4/c1-5-4-6(2)8(3)7-5;3*1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;;;;;/h4H,1-3H3;3H,1-2H3,(H,6,7);2*3H,1-2H3;3*1-2H3;5*1H4.

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);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole?

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole has a molecular weight of 791.12 g/mol, XLogP of 10.35, 0 rotatable bonds, 1 hydrogen bond donors, and 16 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);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;methane;1,3,5-trimethylpyrazole is sourced from PubChem (CID 158525242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).