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

C11H9FN2O2 — CID 115080575

IUPAC2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
SMILESO=CCc1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H9FN2O2/c12-9-3-1-8(2-4-9)7-10-13-11(5-6-15)16-14-10/h1-4,6H,5,7H2
InChIKeyGCIAVGNLFPRNHE-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.54
Rot. Bonds4

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

2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde (PubChem CID 115080575) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
PubChem CID115080575
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
SMILESO=CCc1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H9FN2O2/c12-9-3-1-8(2-4-9)7-10-13-11(5-6-15)16-14-10/h1-4,6H,5,7H2
InChIKeyGCIAVGNLFPRNHE-UHFFFAOYSA-N
XLogP1.54
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde (CID 115080575) is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde is O=CCc1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde?
The InChIKey is GCIAVGNLFPRNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-3-1-8(2-4-9)7-10-13-11(5-6-15)16-14-10/h1-4,6H,5,7H2.
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde?
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde has a molecular weight of 220.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde is sourced from PubChem (CID 115080575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).