5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid

C7H8FNO3 — CID 151920820

IUPAC5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESCC(C)(F)c1oncc1C(=O)O
InChIInChI=1S/C7H8FNO3/c1-7(2,8)5-4(6(10)11)3-9-12-5/h3H,1-2H3,(H,10,11)
InChIKeySWSOJOPYOOQYRC-UHFFFAOYSA-N
MW173.14 g/mol
LogP1.58
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid

5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 151920820) has the molecular formula C7H8FNO3 and a molecular weight of 173.14 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID151920820
Molecular FormulaC7H8FNO3
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Name5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESCC(C)(F)c1oncc1C(=O)O
InChIInChI=1S/C7H8FNO3/c1-7(2,8)5-4(6(10)11)3-9-12-5/h3H,1-2H3,(H,10,11)
InChIKeySWSOJOPYOOQYRC-UHFFFAOYSA-N
XLogP1.58
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid 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 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid (CID 151920820) is 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid is CC(C)(F)c1oncc1C(=O)O.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is SWSOJOPYOOQYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3/c1-7(2,8)5-4(6(10)11)3-9-12-5/h3H,1-2H3,(H,10,11).
What are the key properties of 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid?
5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 173.14 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 151920820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).