5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

C15H12FN3O — CID 11242644

IUPAC5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cc(C)cc(-c2nc(-c3ccc(F)cn3)no2)c1
InChIInChI=1S/C15H12FN3O/c1-9-5-10(2)7-11(6-9)15-18-14(19-20-15)13-4-3-12(16)8-17-13/h3-8H,1-2H3
InChIKeyYWMMJVGNZOHBRV-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.55
Rot. Bonds2

About 5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 11242644) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID11242644
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cc(C)cc(-c2nc(-c3ccc(F)cn3)no2)c1
InChIInChI=1S/C15H12FN3O/c1-9-5-10(2)7-11(6-9)15-18-14(19-20-15)13-4-3-12(16)8-17-13/h3-8H,1-2H3
InChIKeyYWMMJVGNZOHBRV-UHFFFAOYSA-N
XLogP3.55
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79719610
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79735633
5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 142165311
5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811738
3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 167518349
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79804546
N-ethyl-1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79719108
4-bromo-3-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296620
1-[3-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanone
CID 59047159
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 79719342
3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 167518460

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (CID 11242644) is 5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is Cc1cc(C)cc(-c2nc(-c3ccc(F)cn3)no2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is YWMMJVGNZOHBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-5-10(2)7-11(6-9)15-18-14(19-20-15)13-4-3-12(16)8-17-13/h3-8H,1-2H3.
What are the key properties of 5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 269.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 11242644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).