5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole

C13H10FN3O2S — CID 136531235

IUPAC5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3nc(C)cs3)no2)c(F)c1
InChIInChI=1S/C13H10FN3O2S/c1-7-6-20-13(15-7)11-16-12(19-17-11)9-4-3-8(18-2)5-10(9)14/h3-6H,1-2H3
InChIKeyPHKVMKXLNMUWBO-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.32
Rot. Bonds3

About 5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole

5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole (PubChem CID 136531235) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
PubChem CID136531235
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3nc(C)cs3)no2)c(F)c1
InChIInChI=1S/C13H10FN3O2S/c1-7-6-20-13(15-7)11-16-12(19-17-11)9-4-3-8(18-2)5-10(9)14/h3-6H,1-2H3
InChIKeyPHKVMKXLNMUWBO-UHFFFAOYSA-N
XLogP3.32
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 657928
1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850187
2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 81309552
3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886
5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53126944
5-(2,4-dimethoxyphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112506
5-[1-(2-chlorophenyl)-2,5-dimethylimidazol-4-yl]-3-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole
CID 118256452
5-methoxy-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 115411776
2-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972048
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
5-[4-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)benzoic acid
CID 89470565

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole (CID 136531235) is 5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3nc(C)cs3)no2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is PHKVMKXLNMUWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c1-7-6-20-13(15-7)11-16-12(19-17-11)9-4-3-8(18-2)5-10(9)14/h3-6H,1-2H3.
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 291.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136531235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).