5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid

C5H3F2NO3 — CID 62892122

IUPAC5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1C(F)F
InChIInChI=1S/C5H3F2NO3/c6-4(7)3-2(5(9)10)1-8-11-3/h1,4H,(H,9,10)
InChIKeyAQTFXGKZJVPKPU-UHFFFAOYSA-N
MW163.08 g/mol
LogP1.31
Rot. Bonds2

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

5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 62892122) has the molecular formula C5H3F2NO3 and a molecular weight of 163.08 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid
PubChem CID62892122
Molecular FormulaC5H3F2NO3
Molecular Weight163.08 g/mol
Exact Mass163.01
IUPAC Name5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1C(F)F
InChIInChI=1S/C5H3F2NO3/c6-4(7)3-2(5(9)10)1-8-11-3/h1,4H,(H,9,10)
InChIKeyAQTFXGKZJVPKPU-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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid (CID 62892122) is 5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is AQTFXGKZJVPKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO3/c6-4(7)3-2(5(9)10)1-8-11-3/h1,4H,(H,9,10).
What are the key properties of 5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid?
5-(difluoromethyl)-1,2-oxazole-4-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-4-carboxylic acid is sourced from PubChem (CID 62892122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).