2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene

C71H78F4N14O4S — CID 158167425

About 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene

2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene (PubChem CID 158167425) has the molecular formula C71H78F4N14O4S and a molecular weight of 1299.56 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene.

Molecular Properties

• Compound Name: 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene
• PubChem CID: 158167425
• Molecular Formula: C71H78F4N14O4S
• Molecular Weight: 1299.56 g/mol
• Exact Mass: 1298.60
• IUPAC Name: 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene
• SMILES: Cc1c(F)c(F)c(C)c(F)c1F.Cc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccc(C)cc1.Cc1cnc(C)cn1.Cc1cnc(C)n1-c1ccccc1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1
• InChI: InChI=1S/C16H14N2O.C11H12N2.C10H10N2O.C8H6F4.C8H10.C6H8N2.2C4H6N2O.C4H6N2S/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14;1-9-8-12-10(2)13(9)11-6-4-3-5-7-11;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;1-3-5(9)7(11)4(2)8(12)6(3)10;1-7-3-5-8(2)6-4-7;1-5-3-8-6(2)4-7-5;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;1-2H3;3-6H,1-2H3;3-4H,1-2H3;3*1-2H3
• InChIKey: FXACXWFXQKIHTB-UHFFFAOYSA-N
• XLogP: 17.65
• TPSA: 225.06 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 4
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1299.56
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene?

The IUPAC name of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene (CID 158167425) is 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene.

What is the SMILES notation for 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene?

The canonical SMILES for 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene is Cc1c(F)c(F)c(C)c(F)c1F.Cc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccc(C)cc1.Cc1cnc(C)cn1.Cc1cnc(C)n1-c1ccccc1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.

What is the InChIKey of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene?

The InChIKey is FXACXWFXQKIHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.C11H12N2.C10H10N2O.C8H6F4.C8H10.C6H8N2.2C4H6N2O.C4H6N2S/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14;1-9-8-12-10(2)13(9)11-6-4-3-5-7-11;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;1-3-5(9)7(11)4(2)8(12)6(3)10;1-7-3-5-8(2)6-4-7;1-5-3-8-6(2)4-7-5;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;1-2H3;3-6H,1-2H3;3-4H,1-2H3;3*1-2H3.

What are the key properties of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene?

2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene has a molecular weight of 1299.56 g/mol, XLogP of 17.65, 4 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene is sourced from PubChem (CID 158167425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).