2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C11H4F3N3O3 — CID 103199450

IUPAC2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESN#Cc1ccc(-c2nc(C(F)(F)F)c(C(=O)O)o2)nc1
InChIInChI=1S/C11H4F3N3O3/c12-11(13,14)8-7(10(18)19)20-9(17-8)6-2-1-5(3-15)4-16-6/h1-2,4H,(H,18,19)
InChIKeyWOIBEISBEWYDHV-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.33
Rot. Bonds2

About 2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199450) has the molecular formula C11H4F3N3O3 and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199450
Molecular FormulaC11H4F3N3O3
Molecular Weight283.17 g/mol
Exact Mass283.02
IUPAC Name2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESN#Cc1ccc(-c2nc(C(F)(F)F)c(C(=O)O)o2)nc1
InChIInChI=1S/C11H4F3N3O3/c12-11(13,14)8-7(10(18)19)20-9(17-8)6-2-1-5(3-15)4-16-6/h1-2,4H,(H,18,19)
InChIKeyWOIBEISBEWYDHV-UHFFFAOYSA-N
XLogP2.33
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103199450) is 2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is N#Cc1ccc(-c2nc(C(F)(F)F)c(C(=O)O)o2)nc1.
What is the InChIKey of 2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is WOIBEISBEWYDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F3N3O3/c12-11(13,14)8-7(10(18)19)20-9(17-8)6-2-1-5(3-15)4-16-6/h1-2,4H,(H,18,19).
What are the key properties of 2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 283.17 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).