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

C12H8FN3O3 — CID 136531294

IUPAC5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(-c3ccon3)no2)ccc1F
InChIInChI=1S/C12H8FN3O3/c1-17-10-6-7(2-3-8(10)13)12-14-11(16-19-12)9-4-5-18-15-9/h2-6H,1H3
InChIKeyNJGDBGXDOODXEO-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.54
Rot. Bonds3

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

5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole (PubChem CID 136531294) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
PubChem CID136531294
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(-c3ccon3)no2)ccc1F
InChIInChI=1S/C12H8FN3O3/c1-17-10-6-7(2-3-8(10)13)12-14-11(16-19-12)9-4-5-18-15-9/h2-6H,1H3
InChIKeyNJGDBGXDOODXEO-UHFFFAOYSA-N
XLogP2.54
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 107922497
3-(1-chloropropyl)-5-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazole
CID 103095464
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700997
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
5-(4-methylsulfonylphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 136531296
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
1-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 107922402
2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 107922400
2-amino-1-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114016203
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 107923168
3-(4-fluoro-3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 82626483
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79735633

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole (CID 136531294) is 5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole is COc1cc(-c2nc(-c3ccon3)no2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is NJGDBGXDOODXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c1-17-10-6-7(2-3-8(10)13)12-14-11(16-19-12)9-4-5-18-15-9/h2-6H,1H3.
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole?
5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 261.21 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136531294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).