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

C12H7FN4O2 — CID 136827586

IUPAC3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(-c2nc(-c3ncccn3)no2)c(F)c1
InChIInChI=1S/C12H7FN4O2/c13-9-6-7(18)2-3-8(9)12-16-11(17-19-12)10-14-4-1-5-15-10/h1-6,18H
InChIKeyRFYNATLJQWJJEF-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.04
Rot. Bonds2

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

3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 136827586) has the molecular formula C12H7FN4O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID136827586
Molecular FormulaC12H7FN4O2
Molecular Weight258.21 g/mol
Exact Mass258.06
IUPAC Name3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(-c2nc(-c3ncccn3)no2)c(F)c1
InChIInChI=1S/C12H7FN4O2/c13-9-6-7(18)2-3-8(9)12-16-11(17-19-12)10-14-4-1-5-15-10/h1-6,18H
InChIKeyRFYNATLJQWJJEF-UHFFFAOYSA-N
XLogP2.04
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137015366
3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827593
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136871087
3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827573
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136827589
3-fluoro-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827628
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 82830253
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
4-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136751733
3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827660

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol (CID 136827586) is 3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol is Oc1ccc(-c2nc(-c3ncccn3)no2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is RFYNATLJQWJJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2/c13-9-6-7(18)2-3-8(9)12-16-11(17-19-12)10-14-4-1-5-15-10/h1-6,18H.
What are the key properties of 3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol?
3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 258.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 136827586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).