5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine

C22H19FN4O2 — CID 46908340

IUPAC5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine
SMILESCOCc1cc(-c2nc(-c3cnc(N)c(C)c3)no2)ccc1-c1ccccc1F
InChIInChI=1S/C22H19FN4O2/c1-13-9-15(11-25-20(13)24)21-26-22(29-27-21)14-7-8-17(16(10-14)12-28-2)18-5-3-4-6-19(18)23/h3-11H,12H2,1-2H3,(H2,24,25)
InChIKeyGGSXPUGMZSWDOT-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.64
Rot. Bonds5

About 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine

5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine (PubChem CID 46908340) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine
PubChem CID46908340
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine
SMILESCOCc1cc(-c2nc(-c3cnc(N)c(C)c3)no2)ccc1-c1ccccc1F
InChIInChI=1S/C22H19FN4O2/c1-13-9-15(11-25-20(13)24)21-26-22(29-27-21)14-7-8-17(16(10-14)12-28-2)18-5-3-4-6-19(18)23/h3-11H,12H2,1-2H3,(H2,24,25)
InChIKeyGGSXPUGMZSWDOT-UHFFFAOYSA-N
XLogP4.64
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine with MolForge

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Related Compounds

5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 46908810
3-[3-chloro-5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propan-1-ol
CID 58554158
3-(6-chloro-3-pyridinyl)-5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 46909302
2-[2-fluoro-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanol
CID 58066373
1-[2-fluoro-4-[5-[4-[2-(methoxymethyl)phenyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethenamine
CID 143784157
2-fluoro-4-[5-[4-[2-(methoxymethyl)phenyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 25255478
4-[5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]butan-2-ol
CID 58554129
tert-butyl 4-[5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-2-pyridinyl]butanoate
CID 58554108
1-[[2-fluoro-5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-methylamino]propan-2-one
CID 58066281
ethyl 4-[2,3-difluoro-5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]butanoate
CID 66678371
methyl 3-methoxy-4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 25255773
3-[3-(2-methoxyethoxymethyl)phenyl]-5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 59495636

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine?
The IUPAC name of 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine (CID 46908340) is 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine is COCc1cc(-c2nc(-c3cnc(N)c(C)c3)no2)ccc1-c1ccccc1F.
What is the InChIKey of 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine?
The InChIKey is GGSXPUGMZSWDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-13-9-15(11-25-20(13)24)21-26-22(29-27-21)14-7-8-17(16(10-14)12-28-2)18-5-3-4-6-19(18)23/h3-11H,12H2,1-2H3,(H2,24,25).
What are the key properties of 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine?
5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine has a molecular weight of 390.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(2-fluorophenyl)-3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3-methylpyridin-2-amine is sourced from PubChem (CID 46908340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).