1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene

C193H202ClF7N44O21 — CID 159452247

IUPAC1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene
SMILESCOc1ccc(-c2nc(C)no2)cn1.COc1ccc(C)cc1.Cc1ccc(-c2nc(C)c(C)o2)cc1.Cc1ccc(-c2nc(C)no2)cc1.Cc1ccc(C2=CCN=C2)cc1.Cc1ccc(Cl)cc1.Cc1cccc(-c2nc(C)no2)c1.Cc1ccccc1.Cc1noc(-c2cc(C(F)(F)F)ccn2)n1.Cc1noc(-c2ccc(-n3ccnc3)cc2)n1.Cc1noc(-c2ccc3c(c2)N=CC3)n1.Cc1noc(-c2ccccc2OC=O)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2ccnc(C(F)(F)F)c2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2(C)CCC(C)CC2)n1.Cc1noc(C2CC(C)C2)n1.Cc1noc(C2CCC(C)(F)CC2)n1.Cc1noc(C2CCCNC2)n1.Cc1noc2ccccc12
InChIInChI=1S/C12H10N4O.C12H13NO.C11H9N3O.C11H18N2O.C11H11N.C10H15FN2O.C10H8N2O3.2C10H10N2O.2C9H6F3N3O.C9H9N3O2.C8H13N3O.2C8H7N3O.C8H12N2O.C8H7NO.C8H10O.C7H7Cl.C7H6N4O.C7H8/c1-9-14-12(17-15-9)10-2-4-11(5-3-10)16-7-6-13-8-16;1-8-4-6-11(7-5-8)12-13-9(2)10(3)14-12;1-7-13-11(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;1-9-2-4-10(5-3-9)11-6-7-12-8-11;1-7-12-9(14-13-7)8-3-5-10(2,11)6-4-8;1-7-11-10(15-12-7)8-4-2-3-5-9(8)14-6-13;1-7-3-5-9(6-4-7)10-11-8(2)12-13-10;1-7-4-3-5-9(6-7)10-11-8(2)12-13-10;1-5-14-8(16-15-5)7-4-6(2-3-13-7)9(10,11)12;1-5-14-8(16-15-5)6-2-3-13-7(4-6)9(10,11)12;1-6-11-9(14-12-6)7-3-4-8(13-2)10-5-7;2*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;1-5-3-7(4-5)8-9-6(2)10-11-8;1-6-7-4-2-3-5-8(7)10-9-6;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/h2-8H,1H3;4-7H,1-3H3;2-3,5-6H,4H2,1H3;8H,4-7H2,1-3H3;2-6,8H,7H2,1H3;8H,3-6H2,1-2H3;2-6H,1H3;2*3-6H,1-2H3;2*2-4H,1H3;3-5H,1-2H3;7,9H,2-5H2,1H3;2*2-5H,1H3;5,7H,3-4H2,1-2H3;2-5H,1H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2-6H,1H3
InChIKeyLTNISPGMGFRNBD-UHFFFAOYSA-N
MW3642.46 g/mol
LogP43.76
Rot. Bonds22

About 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene

1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene (PubChem CID 159452247) has the molecular formula C193H202ClF7N44O21 and a molecular weight of 3642.46 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene.

Molecular Properties

Compound Name1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene
PubChem CID159452247
Molecular FormulaC193H202ClF7N44O21
Molecular Weight3642.46 g/mol
Exact Mass3639.57
IUPAC Name1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene
SMILESCOc1ccc(-c2nc(C)no2)cn1.COc1ccc(C)cc1.Cc1ccc(-c2nc(C)c(C)o2)cc1.Cc1ccc(-c2nc(C)no2)cc1.Cc1ccc(C2=CCN=C2)cc1.Cc1ccc(Cl)cc1.Cc1cccc(-c2nc(C)no2)c1.Cc1ccccc1.Cc1noc(-c2cc(C(F)(F)F)ccn2)n1.Cc1noc(-c2ccc(-n3ccnc3)cc2)n1.Cc1noc(-c2ccc3c(c2)N=CC3)n1.Cc1noc(-c2ccccc2OC=O)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2ccnc(C(F)(F)F)c2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2(C)CCC(C)CC2)n1.Cc1noc(C2CC(C)C2)n1.Cc1noc(C2CCC(C)(F)CC2)n1.Cc1noc(C2CCCNC2)n1.Cc1noc2ccccc12
InChIInChI=1S/C12H10N4O.C12H13NO.C11H9N3O.C11H18N2O.C11H11N.C10H15FN2O.C10H8N2O3.2C10H10N2O.2C9H6F3N3O.C9H9N3O2.C8H13N3O.2C8H7N3O.C8H12N2O.C8H7NO.C8H10O.C7H7Cl.C7H6N4O.C7H8/c1-9-14-12(17-15-9)10-2-4-11(5-3-10)16-7-6-13-8-16;1-8-4-6-11(7-5-8)12-13-9(2)10(3)14-12;1-7-13-11(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;1-9-2-4-10(5-3-9)11-6-7-12-8-11;1-7-12-9(14-13-7)8-3-5-10(2,11)6-4-8;1-7-11-10(15-12-7)8-4-2-3-5-9(8)14-6-13;1-7-3-5-9(6-4-7)10-11-8(2)12-13-10;1-7-4-3-5-9(6-7)10-11-8(2)12-13-10;1-5-14-8(16-15-5)7-4-6(2-3-13-7)9(10,11)12;1-5-14-8(16-15-5)6-2-3-13-7(4-6)9(10,11)12;1-6-11-9(14-12-6)7-3-4-8(13-2)10-5-7;2*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;1-5-3-7(4-5)8-9-6(2)10-11-8;1-6-7-4-2-3-5-8(7)10-9-6;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/h2-8H,1H3;4-7H,1-3H3;2-3,5-6H,4H2,1H3;8H,4-7H2,1-3H3;2-6,8H,7H2,1H3;8H,3-6H2,1-2H3;2-6H,1H3;2*3-6H,1-2H3;2*2-4H,1H3;3-5H,1-2H3;7,9H,2-5H2,1H3;2*2-5H,1H3;5,7H,3-4H2,1-2H3;2-5H,1H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2-6H,1H3
InChIKeyLTNISPGMGFRNBD-UHFFFAOYSA-N
XLogP43.76
TPSA825.42 Ų
H-Bond Donors1
H-Bond Acceptors65
Rotatable Bonds22
Heavy Atoms266
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003642.46
LogP ≤ 543.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

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

Analyze 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene?
The IUPAC name of 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene (CID 159452247) is 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-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;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene?
The canonical SMILES for 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene is COc1ccc(-c2nc(C)no2)cn1.COc1ccc(C)cc1.Cc1ccc(-c2nc(C)c(C)o2)cc1.Cc1ccc(-c2nc(C)no2)cc1.Cc1ccc(C2=CCN=C2)cc1.Cc1ccc(Cl)cc1.Cc1cccc(-c2nc(C)no2)c1.Cc1ccccc1.Cc1noc(-c2cc(C(F)(F)F)ccn2)n1.Cc1noc(-c2ccc(-n3ccnc3)cc2)n1.Cc1noc(-c2ccc3c(c2)N=CC3)n1.Cc1noc(-c2ccccc2OC=O)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2ccnc(C(F)(F)F)c2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2(C)CCC(C)CC2)n1.Cc1noc(C2CC(C)C2)n1.Cc1noc(C2CCC(C)(F)CC2)n1.Cc1noc(C2CCCNC2)n1.Cc1noc2ccccc12.
What is the InChIKey of 1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene?
The InChIKey is LTNISPGMGFRNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O.C12H13NO.C11H9N3O.C11H18N2O.C11H11N.C10H15FN2O.C10H8N2O3.2C10H10N2O.2C9H6F3N3O.C9H9N3O2.C8H13N3O.2C8H7N3O.C8H12N2O.C8H7NO.C8H10O.C7H7Cl.C7H6N4O.C7H8/c1-9-14-12(17-15-9)10-2-4-11(5-3-10)16-7-6-13-8-16;1-8-4-6-11(7-5-8)12-13-9(2)10(3)14-12;1-7-13-11(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;1-9-2-4-10(5-3-9)11-6-7-12-8-11;1-7-12-9(14-13-7)8-3-5-10(2,11)6-4-8;1-7-11-10(15-12-7)8-4-2-3-5-9(8)14-6-13;1-7-3-5-9(6-4-7)10-11-8(2)12-13-10;1-7-4-3-5-9(6-7)10-11-8(2)12-13-10;1-5-14-8(16-15-5)7-4-6(2-3-13-7)9(10,11)12;1-5-14-8(16-15-5)6-2-3-13-7(4-6)9(10,11)12;1-6-11-9(14-12-6)7-3-4-8(13-2)10-5-7;2*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;1-5-3-7(4-5)8-9-6(2)10-11-8;1-6-7-4-2-3-5-8(7)10-9-6;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/h2-8H,1H3;4-7H,1-3H3;2-3,5-6H,4H2,1H3;8H,4-7H2,1-3H3;2-6,8H,7H2,1H3;8H,3-6H2,1-2H3;2-6H,1H3;2*3-6H,1-2H3;2*2-4H,1H3;3-5H,1-2H3;7,9H,2-5H2,1H3;2*2-5H,1H3;5,7H,3-4H2,1-2H3;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;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene?
1-chloro-4-methylbenzene;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene has a molecular weight of 3642.46 g/mol, XLogP of 43.76, 22 rotatable bonds, 1 hydrogen bond donors, and 65 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;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(4-imidazol-1-ylphenyl)-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-1,2-benzoxazole;3-methyl-5-(3-methylcyclobutyl)-1,2,4-oxadiazole;3-methyl-5-(3-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate;4-(4-methylphenyl)-2H-pyrrole;3-methyl-5-piperidin-3-yl-1,2,4-oxadiazole;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;3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazole;3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole;toluene is sourced from PubChem (CID 159452247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).