1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol

C18H13FN2O2 — CID 71062765

IUPAC1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(-c2ccc(C#Cc3cccc(F)c3)cc2)no1
InChIInChI=1S/C18H13FN2O2/c1-12(22)18-20-17(21-23-18)15-9-7-13(8-10-15)5-6-14-3-2-4-16(19)11-14/h2-4,7-12,22H,1H3
InChIKeyOEMNFTMVYIZMJC-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.33
Rot. Bonds2

About 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol

1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 71062765) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID71062765
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(-c2ccc(C#Cc3cccc(F)c3)cc2)no1
InChIInChI=1S/C18H13FN2O2/c1-12(22)18-20-17(21-23-18)15-9-7-13(8-10-15)5-6-14-3-2-4-16(19)11-14/h2-4,7-12,22H,1H3
InChIKeyOEMNFTMVYIZMJC-UHFFFAOYSA-N
XLogP3.33
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 71062765) is 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(-c2ccc(C#Cc3cccc(F)c3)cc2)no1.
What is the InChIKey of 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is OEMNFTMVYIZMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c1-12(22)18-20-17(21-23-18)15-9-7-13(8-10-15)5-6-14-3-2-4-16(19)11-14/h2-4,7-12,22H,1H3.
What are the key properties of 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 308.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 71062765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).