4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid

C18H13F3N2O4 — CID 170506855

IUPAC4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2onc(C)c2-c2cccc(C(F)(F)F)c2)c(=O)c1C(=O)O
InChIInChI=1S/C18H13F3N2O4/c1-9-6-7-23(15(24)13(9)17(25)26)16-14(10(2)22-27-16)11-4-3-5-12(8-11)18(19,20)21/h3-8H,1-2H3,(H,25,26)
InChIKeyFBZVGLOJDYEHGO-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.83
Rot. Bonds3

About 4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid

4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid (PubChem CID 170506855) has the molecular formula C18H13F3N2O4 and a molecular weight of 378.31 g/mol. Its IUPAC name is 4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid
PubChem CID170506855
Molecular FormulaC18H13F3N2O4
Molecular Weight378.31 g/mol
Exact Mass378.08
IUPAC Name4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2onc(C)c2-c2cccc(C(F)(F)F)c2)c(=O)c1C(=O)O
InChIInChI=1S/C18H13F3N2O4/c1-9-6-7-23(15(24)13(9)17(25)26)16-14(10(2)22-27-16)11-4-3-5-12(8-11)18(19,20)21/h3-8H,1-2H3,(H,25,26)
InChIKeyFBZVGLOJDYEHGO-UHFFFAOYSA-N
XLogP3.83
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid (CID 170506855) is 4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid is Cc1ccn(-c2onc(C)c2-c2cccc(C(F)(F)F)c2)c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is FBZVGLOJDYEHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4/c1-9-6-7-23(15(24)13(9)17(25)26)16-14(10(2)22-27-16)11-4-3-5-12(8-11)18(19,20)21/h3-8H,1-2H3,(H,25,26).
What are the key properties of 4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid?
4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 378.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170506855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).