[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol

C9H7FN2O2 — CID 23205019

IUPAC[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)12-14-9/h1-4,13H,5H2
InChIKeyUSFDLNBWFJBASE-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.37
Rot. Bonds2

About [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol

[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 23205019) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID23205019
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)12-14-9/h1-4,13H,5H2
InChIKeyUSFDLNBWFJBASE-UHFFFAOYSA-N
XLogP1.37
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol (CID 23205019) is [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is USFDLNBWFJBASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)12-14-9/h1-4,13H,5H2.
What are the key properties of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 194.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 23205019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).