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

C7H8FNO2 — CID 84763808

IUPAC2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde
SMILESCC(C)(F)c1ncc(C=O)o1
InChIInChI=1S/C7H8FNO2/c1-7(2,8)6-9-3-5(4-10)11-6/h3-4H,1-2H3
InChIKeyZOCAJQGFFALLLU-UHFFFAOYSA-N
MW157.14 g/mol
LogP1.69
Rot. Bonds2

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

2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde (PubChem CID 84763808) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde
PubChem CID84763808
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde
SMILESCC(C)(F)c1ncc(C=O)o1
InChIInChI=1S/C7H8FNO2/c1-7(2,8)6-9-3-5(4-10)11-6/h3-4H,1-2H3
InChIKeyZOCAJQGFFALLLU-UHFFFAOYSA-N
XLogP1.69
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-fluoropropan-2-yl)-1,3-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 2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde (CID 84763808) is 2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde is CC(C)(F)c1ncc(C=O)o1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde?
The InChIKey is ZOCAJQGFFALLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-7(2,8)6-9-3-5(4-10)11-6/h3-4H,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde?
2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde has a molecular weight of 157.14 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 84763808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).