3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole

C17H15FN2O2 — CID 42692342

IUPAC3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(F)c(OCc2noc(-c3ccccc3C)n2)c1
InChIInChI=1S/C17H15FN2O2/c1-11-7-8-14(18)15(9-11)21-10-16-19-17(22-20-16)13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3
InChIKeyPYDGXGRXYMZYID-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.07
Rot. Bonds4

About 3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole

3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 42692342) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID42692342
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(F)c(OCc2noc(-c3ccccc3C)n2)c1
InChIInChI=1S/C17H15FN2O2/c1-11-7-8-14(18)15(9-11)21-10-16-19-17(22-20-16)13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3
InChIKeyPYDGXGRXYMZYID-UHFFFAOYSA-N
XLogP4.07
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Irampanel
CID 3038472
5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
5-(3,5-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 868065
3-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 877438
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
5-(2,2'-Dimethylbiphenyl-4-YL)-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 25256388
3-(4-((5-(3,5-Difluorophenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-2-isopropoxypropanoic acid
CID 44316568
3-(4-Methoxybenzyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 817371
5-(2-Fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 925735
5-(4-Methoxybenzyl)-3-phenyl-1,2,4-oxadiazole
CID 957143
5-(2-Biphenylyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 976183

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole (CID 42692342) is 3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(F)c(OCc2noc(-c3ccccc3C)n2)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is PYDGXGRXYMZYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-7-8-14(18)15(9-11)21-10-16-19-17(22-20-16)13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 298.32 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42692342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).