5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole

C93H78Cl2FN19O12 — CID 157272531

IUPAC5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cc(Cl)nc(Cl)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccc(C#N)c(C)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccnc(F)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccncc3)n2)ccc1C.COc1cc(-c2noc(-c3ccnnc3)n2)ccc1C.COc1cc(-c2noc(Cc3ccncc3)n2)ccc1C
InChIInChI=1S/C18H15N3O2.C16H15N3O2.C15H11Cl2N3O2.C15H12FN3O2.C15H13N3O2.C14H12N4O2/c1-11-4-5-13(9-16(11)22-3)17-20-18(23-21-17)14-6-7-15(10-19)12(2)8-14;1-11-3-4-13(10-14(11)20-2)16-18-15(21-19-16)9-12-5-7-17-8-6-12;1-8-3-4-9(5-11(8)21-2)14-19-15(22-20-14)10-6-12(16)18-13(17)7-10;1-9-3-4-10(7-12(9)20-2)14-18-15(21-19-14)11-5-6-17-13(16)8-11;1-10-3-4-12(9-13(10)19-2)14-17-15(20-18-14)11-5-7-16-8-6-11;1-9-3-4-10(7-12(9)19-2)13-17-14(20-18-13)11-5-6-15-16-8-11/h4-9H,1-3H3;3-8,10H,9H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3
InChIKeyAYSAVWOQRKKFCF-UHFFFAOYSA-N
MW1743.67 g/mol
LogP20.24
Rot. Bonds19

About 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole

5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 157272531) has the molecular formula C93H78Cl2FN19O12 and a molecular weight of 1743.67 g/mol. Its IUPAC name is 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID157272531
Molecular FormulaC93H78Cl2FN19O12
Molecular Weight1743.67 g/mol
Exact Mass1741.54
IUPAC Name5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cc(Cl)nc(Cl)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccc(C#N)c(C)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccnc(F)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccncc3)n2)ccc1C.COc1cc(-c2noc(-c3ccnnc3)n2)ccc1C.COc1cc(-c2noc(Cc3ccncc3)n2)ccc1C
InChIInChI=1S/C18H15N3O2.C16H15N3O2.C15H11Cl2N3O2.C15H12FN3O2.C15H13N3O2.C14H12N4O2/c1-11-4-5-13(9-16(11)22-3)17-20-18(23-21-17)14-6-7-15(10-19)12(2)8-14;1-11-3-4-13(10-14(11)20-2)16-18-15(21-19-16)9-12-5-7-17-8-6-12;1-8-3-4-9(5-11(8)21-2)14-19-15(22-20-14)10-6-12(16)18-13(17)7-10;1-9-3-4-10(7-12(9)20-2)14-18-15(21-19-14)11-5-6-17-13(16)8-11;1-10-3-4-12(9-13(10)19-2)14-17-15(20-18-14)11-5-7-16-8-6-11;1-9-3-4-10(7-12(9)19-2)13-17-14(20-18-13)11-5-6-15-16-8-11/h4-9H,1-3H3;3-8,10H,9H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3
InChIKeyAYSAVWOQRKKFCF-UHFFFAOYSA-N
XLogP20.24
TPSA390.03 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.67
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;5-(3-methoxy-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 158207630
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 112572035
2-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153646
2-(3,5-difluorophenyl)-5-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153729
5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
2-(3,4-dimethoxyphenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153580
2-(3,4-dimethylphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153635
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 78817284
5-(4,5-dimethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 71142014
3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 83287388
2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153727

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole (CID 157272531) is 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole is COc1cc(-c2noc(-c3cc(Cl)nc(Cl)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccc(C#N)c(C)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccnc(F)c3)n2)ccc1C.COc1cc(-c2noc(-c3ccncc3)n2)ccc1C.COc1cc(-c2noc(-c3ccnnc3)n2)ccc1C.COc1cc(-c2noc(Cc3ccncc3)n2)ccc1C.
What is the InChIKey of 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is AYSAVWOQRKKFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.C16H15N3O2.C15H11Cl2N3O2.C15H12FN3O2.C15H13N3O2.C14H12N4O2/c1-11-4-5-13(9-16(11)22-3)17-20-18(23-21-17)14-6-7-15(10-19)12(2)8-14;1-11-3-4-13(10-14(11)20-2)16-18-15(21-19-16)9-12-5-7-17-8-6-12;1-8-3-4-9(5-11(8)21-2)14-19-15(22-20-14)10-6-12(16)18-13(17)7-10;1-9-3-4-10(7-12(9)20-2)14-18-15(21-19-14)11-5-6-17-13(16)8-11;1-10-3-4-12(9-13(10)19-2)14-17-15(20-18-14)11-5-7-16-8-6-11;1-9-3-4-10(7-12(9)19-2)13-17-14(20-18-13)11-5-6-15-16-8-11/h4-9H,1-3H3;3-8,10H,9H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3.
What are the key properties of 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1743.67 g/mol, XLogP of 20.24, 19 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-(2-fluoro-4-pyridinyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;4-[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbenzonitrile;3-(3-methoxy-4-methylphenyl)-5-pyridazin-4-yl-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole;3-(3-methoxy-4-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 157272531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).