5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid

C11H5FN2O3 — CID 168909125

IUPAC5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid
SMILESN#Cc1ccc(F)c(-c2cnc(C(=O)O)o2)c1
InChIInChI=1S/C11H5FN2O3/c12-8-2-1-6(4-13)3-7(8)9-5-14-10(17-9)11(15)16/h1-3,5H,(H,15,16)
InChIKeyCJOAPCROZHFUOJ-UHFFFAOYSA-N
MW232.17 g/mol
LogP2.05
Rot. Bonds2

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

5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 168909125) has the molecular formula C11H5FN2O3 and a molecular weight of 232.17 g/mol. Its IUPAC name is 5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid
PubChem CID168909125
Molecular FormulaC11H5FN2O3
Molecular Weight232.17 g/mol
Exact Mass232.03
IUPAC Name5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid
SMILESN#Cc1ccc(F)c(-c2cnc(C(=O)O)o2)c1
InChIInChI=1S/C11H5FN2O3/c12-8-2-1-6(4-13)3-7(8)9-5-14-10(17-9)11(15)16/h1-3,5H,(H,15,16)
InChIKeyCJOAPCROZHFUOJ-UHFFFAOYSA-N
XLogP2.05
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid (CID 168909125) is 5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid is N#Cc1ccc(F)c(-c2cnc(C(=O)O)o2)c1.
What is the InChIKey of 5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is CJOAPCROZHFUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5FN2O3/c12-8-2-1-6(4-13)3-7(8)9-5-14-10(17-9)11(15)16/h1-3,5H,(H,15,16).
What are the key properties of 5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid?
5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid has a molecular weight of 232.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2-fluorophenyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 168909125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).