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

C10H6FNO2 — CID 105422864

IUPAC4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1nocc1-c1ccccc1F
InChIInChI=1S/C10H6FNO2/c11-9-4-2-1-3-7(9)8-6-14-12-10(8)5-13/h1-6H
InChIKeyZUFVTUFCEMABAM-UHFFFAOYSA-N
MW191.16 g/mol
LogP2.29
Rot. Bonds2

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

4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde (PubChem CID 105422864) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde
PubChem CID105422864
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1nocc1-c1ccccc1F
InChIInChI=1S/C10H6FNO2/c11-9-4-2-1-3-7(9)8-6-14-12-10(8)5-13/h1-6H
InChIKeyZUFVTUFCEMABAM-UHFFFAOYSA-N
XLogP2.29
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 82362916
4-(2-fluorophenyl)furan-3-carbaldehyde
CID 82375528
4-(4-hydroxyphenyl)-1,2-oxazole-3-carbaldehyde
CID 105422834
4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde
CID 105423012
3-(2-fluorophenyl)-1H-pyrazole-5-carbaldehyde
CID 62111677
5-(2-fluorophenyl)benzene-1,3-dicarbaldehyde
CID 167311950
6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde
CID 87405121
3-(2-fluorophenyl)-1H-1,2,4-triazole-5-carbaldehyde
CID 55263663
4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde
CID 86631640
3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde
CID 82362934
4-(2-fluorophenyl)furan-3-amine
CID 117223449
2-chloro-3-(2-fluorophenyl)pyridine
CID 46312040

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde (CID 105422864) is 4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde is O=Cc1nocc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
The InChIKey is ZUFVTUFCEMABAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-9-4-2-1-3-7(9)8-6-14-12-10(8)5-13/h1-6H.
What are the key properties of 4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde has a molecular weight of 191.16 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 105422864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).