5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid

C11H7F3N2O4 — CID 63279532

IUPAC5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cn2cc(C(F)(F)F)ccc2=O)on1
InChIInChI=1S/C11H7F3N2O4/c12-11(13,14)6-1-2-9(17)16(4-6)5-7-3-8(10(18)19)15-20-7/h1-4H,5H2,(H,18,19)
InChIKeyIBKQZKAZOVRTTD-UHFFFAOYSA-N
MW288.18 g/mol
LogP1.60
Rot. Bonds3

About 5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid

5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 63279532) has the molecular formula C11H7F3N2O4 and a molecular weight of 288.18 g/mol. Its IUPAC name is 5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID63279532
Molecular FormulaC11H7F3N2O4
Molecular Weight288.18 g/mol
Exact Mass288.04
IUPAC Name5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cn2cc(C(F)(F)F)ccc2=O)on1
InChIInChI=1S/C11H7F3N2O4/c12-11(13,14)6-1-2-9(17)16(4-6)5-7-3-8(10(18)19)15-20-7/h1-4H,5H2,(H,18,19)
InChIKeyIBKQZKAZOVRTTD-UHFFFAOYSA-N
XLogP1.60
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-((Dimethylamino)methyl)-1,2-oxazole-3-carboxylic acid hydrochloride
CID 71757866
5-(((tert-Butoxycarbonyl)amino)methyl)isoxazole-3-carboxylic acid
CID 59332954
5-[(4-Methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid hydrochloride
CID 75480761
5-((Piperidin-1-yl)methyl)-1,2-oxazole-3-carboxylic acid hydrochloride
CID 119031854
5-(Piperidin-1-ylmethyl)isoxazole-3-carboxylic acid
CID 7144513
5-((Dimethylamino)methyl)isoxazole-3-carboxylic acid
CID 20099154
5-((4-Methylpiperazin-1-yl)methyl)isoxazole-3-carboxylic acid
CID 23006304
5-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 55010676
5-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 55010822
5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 55010916
5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 55010921
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397862

Frequently Asked Questions

What is the IUPAC name of 5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid (CID 63279532) is 5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(Cn2cc(C(F)(F)F)ccc2=O)on1.
What is the InChIKey of 5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is IBKQZKAZOVRTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O4/c12-11(13,14)6-1-2-9(17)16(4-6)5-7-3-8(10(18)19)15-20-7/h1-4H,5H2,(H,18,19).
What are the key properties of 5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 288.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 63279532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).