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

C15H10F2N2O2 — CID 136827573

IUPAC3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2noc(-c3ccc(O)cc3F)n2)cc1F
InChIInChI=1S/C15H10F2N2O2/c1-8-2-3-9(6-12(8)16)14-18-15(21-19-14)11-5-4-10(20)7-13(11)17/h2-7,20H,1H3
InChIKeyOLHULUOZCJEOQJ-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.70
Rot. Bonds2

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

3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136827573) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136827573
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2noc(-c3ccc(O)cc3F)n2)cc1F
InChIInChI=1S/C15H10F2N2O2/c1-8-2-3-9(6-12(8)16)14-18-15(21-19-14)11-5-4-10(20)7-13(11)17/h2-7,20H,1H3
InChIKeyOLHULUOZCJEOQJ-UHFFFAOYSA-N
XLogP3.70
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813381
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136827586
4-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904205
4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 136533700
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135977037
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 58559390
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136827589

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136827573) is 3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccc(-c2noc(-c3ccc(O)cc3F)n2)cc1F.
What is the InChIKey of 3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is OLHULUOZCJEOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c1-8-2-3-9(6-12(8)16)14-18-15(21-19-14)11-5-4-10(20)7-13(11)17/h2-7,20H,1H3.
What are the key properties of 3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 288.25 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136827573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).