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

C14H10FN3O2 — CID 136827593

IUPAC3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(Cc3ccccn3)no2)c(F)c1
InChIInChI=1S/C14H10FN3O2/c15-12-8-10(19)4-5-11(12)14-17-13(18-20-14)7-9-3-1-2-6-16-9/h1-6,8,19H,7H2
InChIKeyWXLDDHSTGIUVPE-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.57
Rot. Bonds3

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

3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136827593) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136827593
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(Cc3ccccn3)no2)c(F)c1
InChIInChI=1S/C14H10FN3O2/c15-12-8-10(19)4-5-11(12)14-17-13(18-20-14)7-9-3-1-2-6-16-9/h1-6,8,19H,7H2
InChIKeyWXLDDHSTGIUVPE-UHFFFAOYSA-N
XLogP2.57
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136827586
2-fluoro-5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60837259
3-fluoro-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827628
5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811600
[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324878
4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503357
2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63793713
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136903992
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751036
3-(bromomethyl)-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 130536150

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136827593) is 3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(Cc3ccccn3)no2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is WXLDDHSTGIUVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-8-10(19)4-5-11(12)14-17-13(18-20-14)7-9-3-1-2-6-16-9/h1-6,8,19H,7H2.
What are the key properties of 3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 271.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136827593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).