3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

C16H14FN3O2 — CID 913881

IUPAC3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN3O2/c1-3-21-16-13(9-4-10(2)18-16)14-19-15(22-20-14)11-5-7-12(17)8-6-11/h4-9H,3H2,1-2H3
InChIKeyNSPHHNNHWFWUQY-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.64
Rot. Bonds4

About 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 913881) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID913881
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN3O2/c1-3-21-16-13(9-4-10(2)18-16)14-19-15(22-20-14)11-5-7-12(17)8-6-11/h4-9H,3H2,1-2H3
InChIKeyNSPHHNNHWFWUQY-UHFFFAOYSA-N
XLogP3.64
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
2-Ethoxy-6-phenyl-3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 645805
5-(2-Ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 648645
2-Ethoxy-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-methylpyridine
CID 655513
2-Methoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-phenyl-pyridine
CID 656230
3-(2-Methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664083
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664369
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-phenylpyridine
CID 664462
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664499
3-(2-Methoxy-6-phenylpyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664623
3-(2-Ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole
CID 664958
3-(2-Methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 913814

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole (CID 913881) is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole is CCOc1nc(C)ccc1-c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is NSPHHNNHWFWUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-3-21-16-13(9-4-10(2)18-16)14-19-15(22-20-14)11-5-7-12(17)8-6-11/h4-9H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 299.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 913881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).