2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene

C160H169F24N29O11 — CID 159376626

About 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene

2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene (PubChem CID 159376626) has the molecular formula C160H169F24N29O11 and a molecular weight of 3130.26 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene.

Molecular Properties

• Compound Name: 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene
• PubChem CID: 159376626
• Molecular Formula: C160H169F24N29O11
• Molecular Weight: 3130.26 g/mol
• Exact Mass: 3128.32
• IUPAC Name: 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene
• SMILES: COc1ccc(C)cc1.COc1ccc(C)cn1.Cc1cc(-c2ccccc2)on1.Cc1cc(C(F)(F)F)no1.Cc1cc(C(F)(F)F)no1.Cc1cc(C(F)(F)F)on1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(C(F)(F)F)nn1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccccc1.Cc1cccnc1.Cc1ccncc1.Cc1cnc(C(F)(F)F)nc1.Cc1cnc(C)nc1.Cc1cnccn1.Cc1cncnc1.Cc1coc(-c2ccccc2)n1.Cc1coc(C(F)(F)F)n1.Cc1coc(C)n1.[C-]#[N+]c1ccc(C)cc1.[C-]#[N+]c1ccc(C)cn1
• InChI: InChI=1S/2C10H9NO.C8H7F3.C8H7N.C8H10O.C7H6F3N.C7H6N2.C7H9NO.C7H9N.C7H8.2C6H5F3N2.2C6H8N2.2C6H7N.4C5H4F3NO.2C5H6N2.3C5H7NO/c1-8-7-12-10(11-8)9-5-3-2-4-6-9;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)8(9,10)11;2*1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(11-4-5)7(8,9)10;1-6-3-4-7(8-2)9-5-6;1-6-3-4-7(9-2)8-5-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-4-2-10-5(11-3-4)6(7,8)9;1-4-2-3-5(11-10-4)6(7,8)9;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-3-2-10-4(9-3)5(6,7)8;2*1-3-2-4(9-10-3)5(6,7)8;1-3-2-4(10-9-3)5(6,7)8;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-4-3-7-5(2)6-4;2*1-4-3-5(2)7-6-4/h2*2-7H,1H3;2-5H,1H3;3-6H,1H3;3-6H,1-2H3;2-4H,1H3;3-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-6H,1H3;2*2-3H,1H3;2*3-4H,1-2H3;2*2-5H,1H3;4*2H,1H3;2*2-4H,1H3;3*3H,1-2H3
• InChIKey: LKJWUPJQPBOWCH-UHFFFAOYSA-N
• XLogP: 44.33
• TPSA: 493.47 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 4
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3130.26
LogP ≤ 5	44.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene?

The IUPAC name of 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene (CID 159376626) is 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene.

What is the SMILES notation for 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene?

The canonical SMILES for 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene is COc1ccc(C)cc1.COc1ccc(C)cn1.Cc1cc(-c2ccccc2)on1.Cc1cc(C(F)(F)F)no1.Cc1cc(C(F)(F)F)no1.Cc1cc(C(F)(F)F)on1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(C(F)(F)F)nn1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccccc1.Cc1cccnc1.Cc1ccncc1.Cc1cnc(C(F)(F)F)nc1.Cc1cnc(C)nc1.Cc1cnccn1.Cc1cncnc1.Cc1coc(-c2ccccc2)n1.Cc1coc(C(F)(F)F)n1.Cc1coc(C)n1.[C-]#[N+]c1ccc(C)cc1.[C-]#[N+]c1ccc(C)cn1.

What is the InChIKey of 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene?

The InChIKey is LKJWUPJQPBOWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9NO.C8H7F3.C8H7N.C8H10O.C7H6F3N.C7H6N2.C7H9NO.C7H9N.C7H8.2C6H5F3N2.2C6H8N2.2C6H7N.4C5H4F3NO.2C5H6N2.3C5H7NO/c1-8-7-12-10(11-8)9-5-3-2-4-6-9;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)8(9,10)11;2*1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(11-4-5)7(8,9)10;1-6-3-4-7(8-2)9-5-6;1-6-3-4-7(9-2)8-5-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-4-2-10-5(11-3-4)6(7,8)9;1-4-2-3-5(11-10-4)6(7,8)9;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-3-2-10-4(9-3)5(6,7)8;2*1-3-2-4(9-10-3)5(6,7)8;1-3-2-4(10-9-3)5(6,7)8;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-4-3-7-5(2)6-4;2*1-4-3-5(2)7-6-4/h2*2-7H,1H3;2-5H,1H3;3-6H,1H3;3-6H,1-2H3;2-4H,1H3;3-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-6H,1H3;2*2-3H,1H3;2*3-4H,1-2H3;2*2-5H,1H3;4*2H,1H3;2*2-4H,1H3;3*3H,1-2H3.

What are the key properties of 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene?

2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene has a molecular weight of 3130.26 g/mol, XLogP of 44.33, 4 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene is sourced from PubChem (CID 159376626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).