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

C15H11FN2O2 — CID 63845762

IUPAC3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(F)cc1-c1noc(-c2cccc(O)c2)n1
InChIInChI=1S/C15H11FN2O2/c1-9-5-6-11(16)8-13(9)14-17-15(20-18-14)10-3-2-4-12(19)7-10/h2-8,19H,1H3
InChIKeyLORYDLRLECZJPX-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.56
Rot. Bonds2

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

3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 63845762) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID63845762
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(F)cc1-c1noc(-c2cccc(O)c2)n1
InChIInChI=1S/C15H11FN2O2/c1-9-5-6-11(16)8-13(9)14-17-15(20-18-14)10-3-2-4-12(19)7-10/h2-8,19H,1H3
InChIKeyLORYDLRLECZJPX-UHFFFAOYSA-N
XLogP3.56
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845255
3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104791040
2-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63187710
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 62387567
5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107282960
4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524634
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813512
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
CID 91051378
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
3-[3-(2,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 97057805

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 63845762) is 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccc(F)cc1-c1noc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is LORYDLRLECZJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-9-5-6-11(16)8-13(9)14-17-15(20-18-14)10-3-2-4-12(19)7-10/h2-8,19H,1H3.
What are the key properties of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 270.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 63845762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).