4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde

C11H8FNO2 — CID 105457027

IUPAC4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde
SMILESCc1oc(C=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H8FNO2/c1-7-11(13-10(6-14)15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyPZHVHUXXUMDZOV-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.60
Rot. Bonds2

About 4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde

4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde (PubChem CID 105457027) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde
PubChem CID105457027
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde
SMILESCc1oc(C=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H8FNO2/c1-7-11(13-10(6-14)15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyPZHVHUXXUMDZOV-UHFFFAOYSA-N
XLogP2.60
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.60
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 4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde (CID 105457027) is 4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde is Cc1oc(C=O)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde?
The InChIKey is PZHVHUXXUMDZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-7-11(13-10(6-14)15-7)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde?
4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 105457027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).