2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C11H8F3N3O2S — CID 106922406

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1coc(Sc2nc(C(F)(F)F)ccc2C(N)=O)n1
InChIInChI=1S/C11H8F3N3O2S/c1-5-4-19-10(16-5)20-9-6(8(15)18)2-3-7(17-9)11(12,13)14/h2-4H,1H3,(H2,15,18)
InChIKeyFPQLGLBKJZGBSC-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.65
Rot. Bonds3

About 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 106922406) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID106922406
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1coc(Sc2nc(C(F)(F)F)ccc2C(N)=O)n1
InChIInChI=1S/C11H8F3N3O2S/c1-5-4-19-10(16-5)20-9-6(8(15)18)2-3-7(17-9)11(12,13)14/h2-4H,1H3,(H2,15,18)
InChIKeyFPQLGLBKJZGBSC-UHFFFAOYSA-N
XLogP2.65
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 106922406) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1coc(Sc2nc(C(F)(F)F)ccc2C(N)=O)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FPQLGLBKJZGBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c1-5-4-19-10(16-5)20-9-6(8(15)18)2-3-7(17-9)11(12,13)14/h2-4H,1H3,(H2,15,18).
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 303.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106922406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).