3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

C84H85F4N15O9 — CID 159050655

IUPAC3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCC1CCCN1c1ncc(-c2nc(-c3cc(F)ccc3OC)no2)cc1C.COc1ccc(F)cc1-c1noc(-c2ccc(-c3cccnc3C)c(C)c2)n1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)nc2)n1.COc1ccc(F)cc1-c1noc(-c2cnc(N3CCCCC3C)c(C)c2)n1
InChIInChI=1S/C22H18FN3O2.C21H23FN4O3.C21H23FN4O2.C20H21FN4O2/c1-13-11-15(6-8-17(13)18-5-4-10-24-14(18)2)22-25-21(26-28-22)19-12-16(23)7-9-20(19)27-3;1-13-9-14(11-23-20(13)26-8-4-5-16(26)12-27-2)21-24-19(25-29-21)17-10-15(22)6-7-18(17)28-3;1-13-10-15(12-23-20(13)26-9-5-4-6-14(26)2)21-24-19(25-28-21)17-11-16(22)7-8-18(17)27-3;1-13-5-3-4-10-25(13)18-9-6-14(12-22-18)20-23-19(24-27-20)16-11-15(21)7-8-17(16)26-2/h4-12H,1-3H3;6-7,9-11,16H,4-5,8,12H2,1-3H3;7-8,10-12,14H,4-6,9H2,1-3H3;6-9,11-13H,3-5,10H2,1-2H3
InChIKeyJXFLULLZBIHFCT-UHFFFAOYSA-N
MW1524.69 g/mol
LogP18.06
Rot. Bonds18

About 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 159050655) has the molecular formula C84H85F4N15O9 and a molecular weight of 1524.69 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID159050655
Molecular FormulaC84H85F4N15O9
Molecular Weight1524.69 g/mol
Exact Mass1523.66
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCC1CCCN1c1ncc(-c2nc(-c3cc(F)ccc3OC)no2)cc1C.COc1ccc(F)cc1-c1noc(-c2ccc(-c3cccnc3C)c(C)c2)n1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)nc2)n1.COc1ccc(F)cc1-c1noc(-c2cnc(N3CCCCC3C)c(C)c2)n1
InChIInChI=1S/C22H18FN3O2.C21H23FN4O3.C21H23FN4O2.C20H21FN4O2/c1-13-11-15(6-8-17(13)18-5-4-10-24-14(18)2)22-25-21(26-28-22)19-12-16(23)7-9-20(19)27-3;1-13-9-14(11-23-20(13)26-8-4-5-16(26)12-27-2)21-24-19(25-29-21)17-10-15(22)6-7-18(17)28-3;1-13-10-15(12-23-20(13)26-9-5-4-6-14(26)2)21-24-19(25-28-21)17-11-16(22)7-8-18(17)27-3;1-13-5-3-4-10-25(13)18-9-6-14(12-22-18)20-23-19(24-27-20)16-11-15(21)7-8-17(16)26-2/h4-12H,1-3H3;6-7,9-11,16H,4-5,8,12H2,1-3H3;7-8,10-12,14H,4-6,9H2,1-3H3;6-9,11-13H,3-5,10H2,1-2H3
InChIKeyJXFLULLZBIHFCT-UHFFFAOYSA-N
XLogP18.06
TPSA263.11 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001524.69
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 159050655) is 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is COCC1CCCN1c1ncc(-c2nc(-c3cc(F)ccc3OC)no2)cc1C.COc1ccc(F)cc1-c1noc(-c2ccc(-c3cccnc3C)c(C)c2)n1.COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)nc2)n1.COc1ccc(F)cc1-c1noc(-c2cnc(N3CCCCC3C)c(C)c2)n1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is JXFLULLZBIHFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2.C21H23FN4O3.C21H23FN4O2.C20H21FN4O2/c1-13-11-15(6-8-17(13)18-5-4-10-24-14(18)2)22-25-21(26-28-22)19-12-16(23)7-9-20(19)27-3;1-13-9-14(11-23-20(13)26-8-4-5-16(26)12-27-2)21-24-19(25-29-21)17-10-15(22)6-7-18(17)28-3;1-13-10-15(12-23-20(13)26-9-5-4-6-14(26)2)21-24-19(25-28-21)17-11-16(22)7-8-18(17)27-3;1-13-5-3-4-10-25(13)18-9-6-14(12-22-18)20-23-19(24-27-20)16-11-15(21)7-8-17(16)26-2/h4-12H,1-3H3;6-7,9-11,16H,4-5,8,12H2,1-3H3;7-8,10-12,14H,4-6,9H2,1-3H3;6-9,11-13H,3-5,10H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 1524.69 g/mol, XLogP of 18.06, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[3-methyl-4-(2-methyl-3-pyridinyl)phenyl]-1,2,4-oxadiazole;3-(5-fluoro-2-methoxyphenyl)-5-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159050655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).