3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol

C14H9FN2O2 — CID 167906493

IUPAC3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1ccc(-c2noc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C14H9FN2O2/c15-12-8-10(18)6-7-11(12)13-16-14(19-17-13)9-4-2-1-3-5-9/h1-8,18H
InChIKeyZIHHDXZTEZMBFY-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.25
Rot. Bonds2

About 3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol

3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 167906493) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID167906493
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1ccc(-c2noc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C14H9FN2O2/c15-12-8-10(18)6-7-11(12)13-16-14(19-17-13)9-4-2-1-3-5-9/h1-8,18H
InChIKeyZIHHDXZTEZMBFY-UHFFFAOYSA-N
XLogP3.25
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136827586
[4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol
CID 59509485
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
3-fluoro-4-[5-[phenoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 139011452
3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827573
3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
CID 91051378
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136827589
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845255
[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59509428
4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136871087
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol (CID 167906493) is 3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol is Oc1ccc(-c2noc(-c3ccccc3)n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is ZIHHDXZTEZMBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-12-8-10(18)6-7-11(12)13-16-14(19-17-13)9-4-2-1-3-5-9/h1-8,18H.
What are the key properties of 3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol?
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 256.24 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 167906493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).