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

C15H11FN2O2 — CID 135977037

IUPAC4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1ccc(F)c(-c2nc(-c3ccc(O)cc3)no2)c1
InChIInChI=1S/C15H11FN2O2/c1-9-2-7-13(16)12(8-9)15-17-14(18-20-15)10-3-5-11(19)6-4-10/h2-8,19H,1H3
InChIKeyINZCRLQWUGERKN-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.56
Rot. Bonds2

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

4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 135977037) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID135977037
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1ccc(F)c(-c2nc(-c3ccc(O)cc3)no2)c1
InChIInChI=1S/C15H11FN2O2/c1-9-2-7-13(16)12(8-9)15-17-14(18-20-15)10-3-5-11(19)6-4-10/h2-8,19H,1H3
InChIKeyINZCRLQWUGERKN-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

4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62510834
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827573
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
5-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-2,3,4-trimethylbenzoic acid
CID 157484513
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297
4-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904205
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136673921
5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 58559390
4-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136905901
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 135977037) is 4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol is Cc1ccc(F)c(-c2nc(-c3ccc(O)cc3)no2)c1.
What is the InChIKey of 4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is INZCRLQWUGERKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-9-2-7-13(16)12(8-9)15-17-14(18-20-15)10-3-5-11(19)6-4-10/h2-8,19H,1H3.
What are the key properties of 4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-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 4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 135977037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).