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

C14H10FN3O2 — CID 79718111

IUPAC3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1cccc(Cc2nc(-c3ccc(F)cn3)no2)c1
InChIInChI=1S/C14H10FN3O2/c15-10-4-5-12(16-8-10)14-17-13(20-18-14)7-9-2-1-3-11(19)6-9/h1-6,8,19H,7H2
InChIKeyXWWAVSBKNFORQW-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.57
Rot. Bonds3

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

3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 79718111) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID79718111
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1cccc(Cc2nc(-c3ccc(F)cn3)no2)c1
InChIInChI=1S/C14H10FN3O2/c15-10-4-5-12(16-8-10)14-17-13(20-18-14)7-9-2-1-3-11(19)6-9/h1-6,8,19H,7H2
InChIKeyXWWAVSBKNFORQW-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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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 79718111) is 3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1cccc(Cc2nc(-c3ccc(F)cn3)no2)c1.
What is the InChIKey of 3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is XWWAVSBKNFORQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-10-4-5-12(16-8-10)14-17-13(20-18-14)7-9-2-1-3-11(19)6-9/h1-6,8,19H,7H2.
What are the key properties of 3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]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-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 79718111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).