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

C11H6N2O3 — CID 62234615

IUPAC2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid
SMILESN#Cc1ccc(-c2nc(C(=O)O)co2)cc1
InChIInChI=1S/C11H6N2O3/c12-5-7-1-3-8(4-2-7)10-13-9(6-16-10)11(14)15/h1-4,6H,(H,14,15)
InChIKeyGGWRHEYNEOMGLK-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.91
Rot. Bonds2

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

2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62234615) has the molecular formula C11H6N2O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID62234615
Molecular FormulaC11H6N2O3
Molecular Weight214.18 g/mol
Exact Mass214.04
IUPAC Name2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid
SMILESN#Cc1ccc(-c2nc(C(=O)O)co2)cc1
InChIInChI=1S/C11H6N2O3/c12-5-7-1-3-8(4-2-7)10-13-9(6-16-10)11(14)15/h1-4,6H,(H,14,15)
InChIKeyGGWRHEYNEOMGLK-UHFFFAOYSA-N
XLogP1.91
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid (CID 62234615) is 2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid is N#Cc1ccc(-c2nc(C(=O)O)co2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is GGWRHEYNEOMGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3/c12-5-7-1-3-8(4-2-7)10-13-9(6-16-10)11(14)15/h1-4,6H,(H,14,15).
What are the key properties of 2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid?
2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 214.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62234615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).