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

C11H11FN2O2 — CID 63346075

IUPAC1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H11FN2O2/c1-7(15)11-13-10(14-16-11)6-8-2-4-9(12)5-3-8/h2-5,7,15H,6H2,1H3
InChIKeySPWFOSRNSLUPRV-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.85
Rot. Bonds3

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

1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63346075) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63346075
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H11FN2O2/c1-7(15)11-13-10(14-16-11)6-8-2-4-9(12)5-3-8/h2-5,7,15H,6H2,1H3
InChIKeySPWFOSRNSLUPRV-UHFFFAOYSA-N
XLogP1.85
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 63346075) is 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is SPWFOSRNSLUPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7(15)11-13-10(14-16-11)6-8-2-4-9(12)5-3-8/h2-5,7,15H,6H2,1H3.
What are the key properties of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 222.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63346075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).