2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid

C5H3F2NO3 — CID 84764553

IUPAC2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C(F)F)n1
InChIInChI=1S/C5H3F2NO3/c6-3(7)4-8-2(1-11-4)5(9)10/h1,3H,(H,9,10)
InChIKeyPCMYMMDQSRAGMU-UHFFFAOYSA-N
MW163.08 g/mol
LogP1.31
Rot. Bonds2

About 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid

2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 84764553) has the molecular formula C5H3F2NO3 and a molecular weight of 163.08 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID84764553
Molecular FormulaC5H3F2NO3
Molecular Weight163.08 g/mol
Exact Mass163.01
IUPAC Name2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C(F)F)n1
InChIInChI=1S/C5H3F2NO3/c6-3(7)4-8-2(1-11-4)5(9)10/h1,3H,(H,9,10)
InChIKeyPCMYMMDQSRAGMU-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 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid (CID 84764553) is 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is PCMYMMDQSRAGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO3/c6-3(7)4-8-2(1-11-4)5(9)10/h1,3H,(H,9,10).
What are the key properties of 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid?
2-(difluoromethyl)-1,3-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 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 84764553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).