1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene

C104H109ClN26O10 — CID 161226767

About 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene

1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene (PubChem CID 161226767) has the molecular formula C104H109ClN26O10 and a molecular weight of 1918.64 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene.

Molecular Properties

• Compound Name: 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene
• PubChem CID: 161226767
• Molecular Formula: C104H109ClN26O10
• Molecular Weight: 1918.64 g/mol
• Exact Mass: 1916.85
• IUPAC Name: 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene
• SMILES: COc1ccc(-c2nc(C)no2)cn1.COc1ccc(C)cc1.Cc1cc(-c2nc(C)no2)ccn1.Cc1ccc(-c2cn[nH]c2)cc1.Cc1ccc(Cl)cc1.Cc1ccccc1.Cc1ccnc(-c2nc(C)no2)c1.Cc1noc(-c2ccc3c(c2)N=CC3)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2(C)CCC(C)CC2)n1
• InChI: InChI=1S/C11H9N3O.C11H18N2O.C10H10N2.C9H9N3O2.2C9H9N3O.2C8H7N3O.C8H10O.C7H7Cl.C7H6N4O.C7H8/c1-7-13-11(15-14-7)9-3-2-8-4-5-12-10(8)6-9;1-8-4-6-11(3,7-5-8)10-12-9(2)13-14-10;1-8-2-4-9(5-3-8)10-6-11-12-7-10;1-6-11-9(14-12-6)7-3-4-8(13-2)10-5-7;1-6-5-8(3-4-10-6)9-11-7(2)12-13-9;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;1-6-10-8(12-11-6)7-3-2-4-9-5-7;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-7-3-5-8(9-2)6-4-7;1-6-2-4-7(8)5-3-6;1-5-10-7(12-11-5)6-2-8-4-9-3-6;1-7-5-3-2-4-6-7/h2-3,5-6H,4H2,1H3;8H,4-7H2,1-3H3;2-7H,1H3,(H,11,12);3-5H,1-2H3;2*3-5H,1-2H3;2*2-5H,1H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2-6H,1H3
• InChIKey: UYFQNOXQRXDBML-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 461.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 11
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.64
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene?

The IUPAC name of 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene (CID 161226767) is 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene.

What is the SMILES notation for 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene?

The canonical SMILES for 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene is COc1ccc(-c2nc(C)no2)cn1.COc1ccc(C)cc1.Cc1cc(-c2nc(C)no2)ccn1.Cc1ccc(-c2cn[nH]c2)cc1.Cc1ccc(Cl)cc1.Cc1ccccc1.Cc1ccnc(-c2nc(C)no2)c1.Cc1noc(-c2ccc3c(c2)N=CC3)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2(C)CCC(C)CC2)n1.

What is the InChIKey of 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene?

The InChIKey is UYFQNOXQRXDBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O.C11H18N2O.C10H10N2.C9H9N3O2.2C9H9N3O.2C8H7N3O.C8H10O.C7H7Cl.C7H6N4O.C7H8/c1-7-13-11(15-14-7)9-3-2-8-4-5-12-10(8)6-9;1-8-4-6-11(3,7-5-8)10-12-9(2)13-14-10;1-8-2-4-9(5-3-8)10-6-11-12-7-10;1-6-11-9(14-12-6)7-3-4-8(13-2)10-5-7;1-6-5-8(3-4-10-6)9-11-7(2)12-13-9;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;1-6-10-8(12-11-6)7-3-2-4-9-5-7;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-7-3-5-8(9-2)6-4-7;1-6-2-4-7(8)5-3-6;1-5-10-7(12-11-5)6-2-8-4-9-3-6;1-7-5-3-2-4-6-7/h2-3,5-6H,4H2,1H3;8H,4-7H2,1-3H3;2-7H,1H3,(H,11,12);3-5H,1-2H3;2*3-5H,1-2H3;2*2-5H,1H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2-6H,1H3.

What are the key properties of 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene?

1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene has a molecular weight of 1918.64 g/mol, XLogP of 22.84, 11 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;1-methoxy-4-methylbenzene;5-(6-methoxy-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;3-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;4-(4-methylphenyl)-1H-pyrazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;toluene is sourced from PubChem (CID 161226767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).