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

C11H9FN2O2 — CID 63345374

IUPAC1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C11H9FN2O2/c1-7(15)11-13-10(14-16-11)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3
InChIKeySXUYNUYKRXFPOH-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.00
Rot. Bonds3

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

1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 63345374) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID63345374
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C11H9FN2O2/c1-7(15)11-13-10(14-16-11)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3
InChIKeySXUYNUYKRXFPOH-UHFFFAOYSA-N
XLogP2.00
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (CID 63345374) is 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is CC(=O)c1nc(Cc2ccccc2F)no1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is SXUYNUYKRXFPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7(15)11-13-10(14-16-11)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3.
What are the key properties of 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 220.20 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 63345374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).