5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

C15H10F4N2O3 — CID 22270903

IUPAC5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESCc1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)c2[nH]c(=O)oc12
InChIInChI=1S/C15H10F4N2O3/c1-7-5-21(13(22)11-12(7)24-14(23)20-11)6-8-9(15(17,18)19)3-2-4-10(8)16/h2-5H,6H2,1H3,(H,20,23)
InChIKeyUUXUBVICEPUADJ-UHFFFAOYSA-N
MW342.25 g/mol
LogP2.80
Rot. Bonds2

About 5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (PubChem CID 22270903) has the molecular formula C15H10F4N2O3 and a molecular weight of 342.25 g/mol. Its IUPAC name is 5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
PubChem CID22270903
Molecular FormulaC15H10F4N2O3
Molecular Weight342.25 g/mol
Exact Mass342.06
IUPAC Name5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESCc1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)c2[nH]c(=O)oc12
InChIInChI=1S/C15H10F4N2O3/c1-7-5-21(13(22)11-12(7)24-14(23)20-11)6-8-9(15(17,18)19)3-2-4-10(8)16/h2-5H,6H2,1H3,(H,20,23)
InChIKeyUUXUBVICEPUADJ-UHFFFAOYSA-N
XLogP2.80
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The IUPAC name of 5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (CID 22270903) is 5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.
What is the SMILES notation for 5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The canonical SMILES for 5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is Cc1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)c2[nH]c(=O)oc12.
What is the InChIKey of 5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The InChIKey is UUXUBVICEPUADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O3/c1-7-5-21(13(22)11-12(7)24-14(23)20-11)6-8-9(15(17,18)19)3-2-4-10(8)16/h2-5H,6H2,1H3,(H,20,23).
What are the key properties of 5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione has a molecular weight of 342.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-methyl-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is sourced from PubChem (CID 22270903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).