5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid

C5H3F2NO3 — CID 84651491

IUPAC5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)on1
InChIInChI=1S/C5H3F2NO3/c6-4(7)3-1-2(5(9)10)8-11-3/h1,4H,(H,9,10)
InChIKeyKZIBZKQKQUTVFS-UHFFFAOYSA-N
MW163.08 g/mol
LogP1.31
Rot. Bonds2

About 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid

5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 84651491) has the molecular formula C5H3F2NO3 and a molecular weight of 163.08 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID84651491
Molecular FormulaC5H3F2NO3
Molecular Weight163.08 g/mol
Exact Mass163.01
IUPAC Name5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)on1
InChIInChI=1S/C5H3F2NO3/c6-4(7)3-1-2(5(9)10)8-11-3/h1,4H,(H,9,10)
InChIKeyKZIBZKQKQUTVFS-UHFFFAOYSA-N
XLogP1.31
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.08
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethyl)-1,2-oxazole-3-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

Related Compounds

3-Methyl-5-isoxazolecarboxylic acid
CID 76947
Methyl 5-methylisoxazole-3-carboxylate
CID 88245
5-Ethyl-1,2-oxazole-3-carboxylic acid
CID 6483811
5-(Propan-2-yl)-1,2-oxazole-3-carboxylic acid
CID 6483812
5-(Hydroxymethyl)-1,2-oxazole-3-carboxylic acid
CID 8027249
Ethyl 5-methylisoxazole-3-carboxylate
CID 76677
(5-Methyl-1,2-oxazol-3-yl)methanol
CID 2736567
[5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol
CID 15365200
5-Propyl-1,2-oxazole-3-carboxylic acid
CID 1132871
5-(Fluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 10374574
5-(Bromomethyl)-1,2-oxazole-3-carboxylic acid
CID 13371020
5-(Trifluoromethyl)-3-isoxazolecarboxylic acid
CID 19991628

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid (CID 84651491) is 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(C(F)F)on1.
What is the InChIKey of 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is KZIBZKQKQUTVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO3/c6-4(7)3-1-2(5(9)10)8-11-3/h1,4H,(H,9,10).
What are the key properties of 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid?
5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 163.08 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 84651491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).