5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C25H23F3N4O4S — CID 11852869

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCSCc1cc(CNC(=O)c2cc(-c3c(C)noc3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)on1
InChIInChI=1S/C25H23F3N4O4S/c1-13-22(15(3)35-30-13)20-10-21(23(33)29-11-19-9-17(12-37-4)31-36-19)24(34)32(14(20)2)18-7-5-6-16(8-18)25(26,27)28/h5-10H,11-12H2,1-4H3,(H,29,33)
InChIKeyWYKZNMJRCHSBEM-UHFFFAOYSA-N
MW532.54 g/mol
LogP5.22
Rot. Bonds7

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852869) has the molecular formula C25H23F3N4O4S and a molecular weight of 532.54 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11852869
Molecular FormulaC25H23F3N4O4S
Molecular Weight532.54 g/mol
Exact Mass532.14
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCSCc1cc(CNC(=O)c2cc(-c3c(C)noc3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)on1
InChIInChI=1S/C25H23F3N4O4S/c1-13-22(15(3)35-30-13)20-10-21(23(33)29-11-19-9-17(12-37-4)31-36-19)24(34)32(14(20)2)18-7-5-6-16(8-18)25(26,27)28/h5-10H,11-12H2,1-4H3,(H,29,33)
InChIKeyWYKZNMJRCHSBEM-UHFFFAOYSA-N
XLogP5.22
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852869) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CSCc1cc(CNC(=O)c2cc(-c3c(C)noc3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)on1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is WYKZNMJRCHSBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O4S/c1-13-22(15(3)35-30-13)20-10-21(23(33)29-11-19-9-17(12-37-4)31-36-19)24(34)32(14(20)2)18-7-5-6-16(8-18)25(26,27)28/h5-10H,11-12H2,1-4H3,(H,29,33).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 532.54 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-N-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).