3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole

C15H10F2N2O2 — CID 3620161

IUPAC3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3c(F)cccc3F)no2)cc1
InChIInChI=1S/C15H10F2N2O2/c1-20-10-7-5-9(6-8-10)15-18-14(19-21-15)13-11(16)3-2-4-12(13)17/h2-8H,1H3
InChIKeyATSCXLWQXAYDNK-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.69
Rot. Bonds3

About 3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole

3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 3620161) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID3620161
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3c(F)cccc3F)no2)cc1
InChIInChI=1S/C15H10F2N2O2/c1-20-10-7-5-9(6-8-10)15-18-14(19-21-15)13-11(16)3-2-4-12(13)17/h2-8H,1H3
InChIKeyATSCXLWQXAYDNK-UHFFFAOYSA-N
XLogP3.69
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 97057819
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 7354772
3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 10352930
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
CID 155374553
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 3620161) is 3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3c(F)cccc3F)no2)cc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is ATSCXLWQXAYDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c1-20-10-7-5-9(6-8-10)15-18-14(19-21-15)13-11(16)3-2-4-12(13)17/h2-8H,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 288.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3620161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).