3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine

C57H76F5N17O2 — CID 161144459

About 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine

3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine (PubChem CID 161144459) has the molecular formula C57H76F5N17O2 and a molecular weight of 1126.34 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine
• PubChem CID: 161144459
• Molecular Formula: C57H76F5N17O2
• Molecular Weight: 1126.34 g/mol
• Exact Mass: 1125.63
• IUPAC Name: 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine
• SMILES: CCCc1cnc(C)nc1.CCc1cnc(C)nc1.CCc1cnc(C)nc1.Cc1cc(C(C)C)no1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1nc(C(F)F)no1.Cc1ncc(C(F)(F)F)cn1
• InChI: InChI=1S/C8H12N2.2C7H10N2.C7H11NO.C6H5F3N2.3C6H8N2.C4H4F2N2O/c1-3-4-8-5-9-7(2)10-6-8;2*1-3-7-4-8-6(2)9-5-7;1-5(2)7-4-6(3)9-8-7;1-4-10-2-5(3-11-4)6(7,8)9;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;1-2-7-4(3(5)6)8-9-2/h5-6H,3-4H2,1-2H3;2*4-5H,3H2,1-2H3;4-5H,1-3H3;2-3H,1H3;3*3-4H,1-2H3;3H,1H3
• InChIKey: UNWCAVVYFJBMIL-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 245.41 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1126.34
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine?

The IUPAC name of 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine (CID 161144459) is 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine.

What is the SMILES notation for 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine?

The canonical SMILES for 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine is CCCc1cnc(C)nc1.CCc1cnc(C)nc1.CCc1cnc(C)nc1.Cc1cc(C(C)C)no1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1nc(C(F)F)no1.Cc1ncc(C(F)(F)F)cn1.

What is the InChIKey of 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine?

The InChIKey is UNWCAVVYFJBMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.2C7H10N2.C7H11NO.C6H5F3N2.3C6H8N2.C4H4F2N2O/c1-3-4-8-5-9-7(2)10-6-8;2*1-3-7-4-8-6(2)9-5-7;1-5(2)7-4-6(3)9-8-7;1-4-10-2-5(3-11-4)6(7,8)9;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;1-2-7-4(3(5)6)8-9-2/h5-6H,3-4H2,1-2H3;2*4-5H,3H2,1-2H3;4-5H,1-3H3;2-3H,1H3;3*3-4H,1-2H3;3H,1H3.

What are the key properties of 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine?

3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 1126.34 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-5-methyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;bis(2,5-dimethylpyrimidine);bis(5-ethyl-2-methylpyrimidine);5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 161144459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).