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

C15H11FN2O3 — CID 136813512

IUPAC2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCc1cc(F)ccc1-c1noc(-c2c(O)cccc2O)n1
InChIInChI=1S/C15H11FN2O3/c1-8-7-9(16)5-6-10(8)14-17-15(21-18-14)13-11(19)3-2-4-12(13)20/h2-7,19-20H,1H3
InChIKeyUIHLSRUSLYCNBJ-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.26
Rot. Bonds2

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

2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 136813512) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID136813512
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCc1cc(F)ccc1-c1noc(-c2c(O)cccc2O)n1
InChIInChI=1S/C15H11FN2O3/c1-8-7-9(16)5-6-10(8)14-17-15(21-18-14)13-11(19)3-2-4-12(13)20/h2-7,19-20H,1H3
InChIKeyUIHLSRUSLYCNBJ-UHFFFAOYSA-N
XLogP3.26
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886075
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670695
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 81261221
3-fluoro-4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795545
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82811580
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813381
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845762
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 81273589
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 81273431
5-fluoro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136905979
5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107282960

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 136813512) is 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Cc1cc(F)ccc1-c1noc(-c2c(O)cccc2O)n1.
What is the InChIKey of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is UIHLSRUSLYCNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-8-7-9(16)5-6-10(8)14-17-15(21-18-14)13-11(19)3-2-4-12(13)20/h2-7,19-20H,1H3.
What are the key properties of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 286.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 136813512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).