3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde

C8H4FNO2S — CID 145111309

IUPAC3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1cc(-c2ccc(F)s2)no1
InChIInChI=1S/C8H4FNO2S/c9-8-2-1-7(13-8)6-3-5(4-11)12-10-6/h1-4H
InChIKeyCLYQYDKUBGJULH-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.35
Rot. Bonds2

About 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde

3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde (PubChem CID 145111309) has the molecular formula C8H4FNO2S and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde
PubChem CID145111309
Molecular FormulaC8H4FNO2S
Molecular Weight197.19 g/mol
Exact Mass196.99
IUPAC Name3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1cc(-c2ccc(F)s2)no1
InChIInChI=1S/C8H4FNO2S/c9-8-2-1-7(13-8)6-3-5(4-11)12-10-6/h1-4H
InChIKeyCLYQYDKUBGJULH-UHFFFAOYSA-N
XLogP2.35
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde (CID 145111309) is 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde is O=Cc1cc(-c2ccc(F)s2)no1.
What is the InChIKey of 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde?
The InChIKey is CLYQYDKUBGJULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO2S/c9-8-2-1-7(13-8)6-3-5(4-11)12-10-6/h1-4H.
What are the key properties of 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde?
3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde has a molecular weight of 197.19 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 145111309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).