5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol

C14H10FN3O3 — CID 79735633

IUPAC5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nc(-c3ccc(F)cn3)no2)cc1O
InChIInChI=1S/C14H10FN3O3/c1-20-12-5-2-8(6-11(12)19)14-17-13(18-21-14)10-4-3-9(15)7-16-10/h2-7,19H,1H3
InChIKeyDRDMYEJEFNGFEO-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.65
Rot. Bonds3

About 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol

5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol (PubChem CID 79735633) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
PubChem CID79735633
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nc(-c3ccc(F)cn3)no2)cc1O
InChIInChI=1S/C14H10FN3O3/c1-20-12-5-2-8(6-11(12)19)14-17-13(18-21-14)10-4-3-9(15)7-16-10/h2-7,19H,1H3
InChIKeyDRDMYEJEFNGFEO-UHFFFAOYSA-N
XLogP2.65
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79719610
5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 11242644
2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82008572
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79733049
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732954
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 79732855
5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326293
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904552
2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 79733050
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
The IUPAC name of 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol (CID 79735633) is 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
The canonical SMILES for 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol is COc1ccc(-c2nc(-c3ccc(F)cn3)no2)cc1O.
What is the InChIKey of 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
The InChIKey is DRDMYEJEFNGFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c1-20-12-5-2-8(6-11(12)19)14-17-13(18-21-14)10-4-3-9(15)7-16-10/h2-7,19H,1H3.
What are the key properties of 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol has a molecular weight of 287.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol is sourced from PubChem (CID 79735633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).