5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde

C11H8FNO2 — CID 131430211

IUPAC5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(Cc2ccccc2F)on1
InChIInChI=1S/C11H8FNO2/c12-11-4-2-1-3-8(11)5-10-6-9(7-14)13-15-10/h1-4,6-7H,5H2
InChIKeyOMAXXZONPYBMJI-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.22
Rot. Bonds3

About 5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde

5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde (PubChem CID 131430211) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde
PubChem CID131430211
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(Cc2ccccc2F)on1
InChIInChI=1S/C11H8FNO2/c12-11-4-2-1-3-8(11)5-10-6-9(7-14)13-15-10/h1-4,6-7H,5H2
InChIKeyOMAXXZONPYBMJI-UHFFFAOYSA-N
XLogP2.22
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde (CID 131430211) is 5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde is O=Cc1cc(Cc2ccccc2F)on1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde?
The InChIKey is OMAXXZONPYBMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-11-4-2-1-3-8(11)5-10-6-9(7-14)13-15-10/h1-4,6-7H,5H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde?
5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 131430211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).