3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde

C14H8FNO2 — CID 1491653

IUPAC3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde
SMILESO=Cc1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C14H8FNO2/c15-11-4-2-10(3-5-11)14-12-7-9(8-17)1-6-13(12)16-18-14/h1-8H
InChIKeyCLSSGBGDXLYJRM-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.45
Rot. Bonds2

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

3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde (PubChem CID 1491653) has the molecular formula C14H8FNO2 and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde
PubChem CID1491653
Molecular FormulaC14H8FNO2
Molecular Weight241.22 g/mol
Exact Mass241.05
IUPAC Name3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde
SMILESO=Cc1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C14H8FNO2/c15-11-4-2-10(3-5-11)14-12-7-9(8-17)1-6-13(12)16-18-14/h1-8H
InChIKeyCLSSGBGDXLYJRM-UHFFFAOYSA-N
XLogP3.45
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.45
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 3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde?
The IUPAC name of 3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde (CID 1491653) is 3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde is O=Cc1ccc2noc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde?
The InChIKey is CLSSGBGDXLYJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2/c15-11-4-2-10(3-5-11)14-12-7-9(8-17)1-6-13(12)16-18-14/h1-8H.
What are the key properties of 3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde?
3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde has a molecular weight of 241.22 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,1-benzoxazole-5-carbaldehyde is sourced from PubChem (CID 1491653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).