3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol

C11H11FN2O3 — CID 136967854

IUPAC3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC(C)c1noc(-c2c(O)cccc2F)n1
InChIInChI=1S/C11H11FN2O3/c1-6(16-2)10-13-11(17-14-10)9-7(12)4-3-5-8(9)15/h3-6,15H,1-2H3
InChIKeySXEJZTUESNAOOH-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.29
Rot. Bonds3

About 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol

3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136967854) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136967854
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC(C)c1noc(-c2c(O)cccc2F)n1
InChIInChI=1S/C11H11FN2O3/c1-6(16-2)10-13-11(17-14-10)9-7(12)4-3-5-8(9)15/h3-6,15H,1-2H3
InChIKeySXEJZTUESNAOOH-UHFFFAOYSA-N
XLogP2.29
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 79605219
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813550
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660
2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79613731
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
3-fluoro-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789984
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 116703317
5-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79613649
3-fluoro-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790086
3-fluoro-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789902
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 79614402

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136967854) is 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol is COC(C)c1noc(-c2c(O)cccc2F)n1.
What is the InChIKey of 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is SXEJZTUESNAOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-6(16-2)10-13-11(17-14-10)9-7(12)4-3-5-8(9)15/h3-6,15H,1-2H3.
What are the key properties of 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol?
3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 238.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136967854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).