lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate

C10H4F3LiN2O3 — CID 66928955

IUPAClithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESO=C([O-])c1ncoc1-c1cccc(C(F)(F)F)n1.[Li+]
InChIInChI=1S/C10H5F3N2O3.Li/c11-10(12,13)6-3-1-2-5(15-6)8-7(9(16)17)14-4-18-8;/h1-4H,(H,16,17);/q;+1/p-1
InChIKeyUJSDJTDBJYQYIB-UHFFFAOYSA-M
MW264.09 g/mol
LogP-1.88
Rot. Bonds2

About lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate

lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate (PubChem CID 66928955) has the molecular formula C10H4F3LiN2O3 and a molecular weight of 264.09 g/mol. Its IUPAC name is lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namelithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate
PubChem CID66928955
Molecular FormulaC10H4F3LiN2O3
Molecular Weight264.09 g/mol
Exact Mass264.03
IUPAC Namelithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESO=C([O-])c1ncoc1-c1cccc(C(F)(F)F)n1.[Li+]
InChIInChI=1S/C10H5F3N2O3.Li/c11-10(12,13)6-3-1-2-5(15-6)8-7(9(16)17)14-4-18-8;/h1-4H,(H,16,17);/q;+1/p-1
InChIKeyUJSDJTDBJYQYIB-UHFFFAOYSA-M
XLogP-1.88
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate (CID 66928955) is lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate is O=C([O-])c1ncoc1-c1cccc(C(F)(F)F)n1.[Li+].
What is the InChIKey of lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate?
The InChIKey is UJSDJTDBJYQYIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H5F3N2O3.Li/c11-10(12,13)6-3-1-2-5(15-6)8-7(9(16)17)14-4-18-8;/h1-4H,(H,16,17);/q;+1/p-1.
What are the key properties of lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate?
lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate has a molecular weight of 264.09 g/mol, XLogP of -1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66928955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).