5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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

C156H150ClF3N38O18S — CID 160753484

IUPAC5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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
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.Cc1ccnc(-c2nc(C)no2)c1.Cc1noc(-c2ccc(-n3ccnc3)cc2)n1.Cc1noc(-c2ccc3scnc3c2)n1.Cc1noc(-c2ccccc2OC=O)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2ccnc(C(F)(F)F)c2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2CCCNC2)n1.Cc1noc2ccccc12
InChIInChI=1S/C12H10N4O.C12H13NO.C11H11N.C10H7N3OS.C10H8N2O3.2C10H10N2O.C9H6F3N3O.C9H9N3O2.C9H9N3O.C8H13N3O.2C8H7N3O.C8H7NO.C8H10O.C7H7Cl.C7H6N4O/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;1-9-2-4-10(5-3-9)11-6-7-12-8-11;1-6-12-10(14-13-6)7-2-3-9-8(4-7)11-5-15-9;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)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;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;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;1-6-7-4-2-3-5-8(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/h2-8H,1H3;4-7H,1-3H3;2-6,8H,7H2,1H3;2-5H,1H3;2-6H,1H3;2*3-6H,1-2H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;7,9H,2-5H2,1H3;2*2-5H,1H3;2-5H,1H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3
InChIKeyRXCXRQHNPHIAMZ-UHFFFAOYSA-N
MW2969.68 g/mol
LogP33.91
Rot. Bonds19

About 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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

5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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 (PubChem CID 160753484) has the molecular formula C156H150ClF3N38O18S and a molecular weight of 2969.68 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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.

Molecular Properties

Compound Name5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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
PubChem CID160753484
Molecular FormulaC156H150ClF3N38O18S
Molecular Weight2969.68 g/mol
Exact Mass2967.14
IUPAC Name5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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
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.Cc1ccnc(-c2nc(C)no2)c1.Cc1noc(-c2ccc(-n3ccnc3)cc2)n1.Cc1noc(-c2ccc3scnc3c2)n1.Cc1noc(-c2ccccc2OC=O)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2ccnc(C(F)(F)F)c2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2CCCNC2)n1.Cc1noc2ccccc12
InChIInChI=1S/C12H10N4O.C12H13NO.C11H11N.C10H7N3OS.C10H8N2O3.2C10H10N2O.C9H6F3N3O.C9H9N3O2.C9H9N3O.C8H13N3O.2C8H7N3O.C8H7NO.C8H10O.C7H7Cl.C7H6N4O/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;1-9-2-4-10(5-3-9)11-6-7-12-8-11;1-6-12-10(14-13-6)7-2-3-9-8(4-7)11-5-15-9;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)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;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;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;1-6-7-4-2-3-5-8(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/h2-8H,1H3;4-7H,1-3H3;2-6,8H,7H2,1H3;2-5H,1H3;2-6H,1H3;2*3-6H,1-2H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;7,9H,2-5H2,1H3;2*2-5H,1H3;2-5H,1H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3
InChIKeyRXCXRQHNPHIAMZ-UHFFFAOYSA-N
XLogP33.91
TPSA709.19 Ų
H-Bond Donors1
H-Bond Acceptors57
Rotatable Bonds19
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002969.68
LogP ≤ 533.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

Analyze 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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?
The IUPAC name of 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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 (CID 160753484) is 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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.
What is the SMILES notation for 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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?
The canonical SMILES for 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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 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.Cc1ccnc(-c2nc(C)no2)c1.Cc1noc(-c2ccc(-n3ccnc3)cc2)n1.Cc1noc(-c2ccc3scnc3c2)n1.Cc1noc(-c2ccccc2OC=O)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cccnc2)n1.Cc1noc(-c2ccnc(C(F)(F)F)c2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2CCCNC2)n1.Cc1noc2ccccc12.
What is the InChIKey of 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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?
The InChIKey is RXCXRQHNPHIAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O.C12H13NO.C11H11N.C10H7N3OS.C10H8N2O3.2C10H10N2O.C9H6F3N3O.C9H9N3O2.C9H9N3O.C8H13N3O.2C8H7N3O.C8H7NO.C8H10O.C7H7Cl.C7H6N4O/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;1-9-2-4-10(5-3-9)11-6-7-12-8-11;1-6-12-10(14-13-6)7-2-3-9-8(4-7)11-5-15-9;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)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;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;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;1-6-7-4-2-3-5-8(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/h2-8H,1H3;4-7H,1-3H3;2-6,8H,7H2,1H3;2-5H,1H3;2-6H,1H3;2*3-6H,1-2H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;7,9H,2-5H2,1H3;2*2-5H,1H3;2-5H,1H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3.
What are the key properties of 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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?
5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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 has a molecular weight of 2969.68 g/mol, XLogP of 33.91, 19 rotatable bonds, 1 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;1-chloro-4-methylbenzene;4,5-dimethyl-2-(4-methylphenyl)-1,3-oxazole;5-(4-imidazol-1-ylphenyl)-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-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-5-(4-methyl-2-pyridinyl)-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 is sourced from PubChem (CID 160753484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).