1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one

C14H9F3N4O3 — CID 155585183

IUPAC1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
SMILESO=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1O
InChIInChI=1S/C14H9F3N4O3/c15-14(16,17)8-1-2-10(18-6-8)11-7-19-13(24-11)20-9-3-4-21(23)12(22)5-9/h1-7,23H,(H,19,20)
InChIKeyJQTVJUMANGERPA-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.90
Rot. Bonds3

About 1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one

1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one (PubChem CID 155585183) has the molecular formula C14H9F3N4O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
PubChem CID155585183
Molecular FormulaC14H9F3N4O3
Molecular Weight338.25 g/mol
Exact Mass338.06
IUPAC Name1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
SMILESO=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1O
InChIInChI=1S/C14H9F3N4O3/c15-14(16,17)8-1-2-10(18-6-8)11-7-19-13(24-11)20-9-3-4-21(23)12(22)5-9/h1-7,23H,(H,19,20)
InChIKeyJQTVJUMANGERPA-UHFFFAOYSA-N
XLogP2.90
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The IUPAC name of 1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one (CID 155585183) is 1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one.
What is the SMILES notation for 1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The canonical SMILES for 1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one is O=c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)ccn1O.
What is the InChIKey of 1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
The InChIKey is JQTVJUMANGERPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3/c15-14(16,17)8-1-2-10(18-6-8)11-7-19-13(24-11)20-9-3-4-21(23)12(22)5-9/h1-7,23H,(H,19,20).
What are the key properties of 1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one?
1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one has a molecular weight of 338.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridin-2-one is sourced from PubChem (CID 155585183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).