2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

C14H10F3N3O3S — CID 66880556

IUPAC2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCS(=O)(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C14H10F3N3O3S/c1-2-24(21,22)11-7-18-4-3-9(11)12-20-10-5-8(14(15,16)17)6-19-13(10)23-12/h3-7H,2H2,1H3
InChIKeyKCCHTGWIRHDZGF-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.10
Rot. Bonds3

About 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 66880556) has the molecular formula C14H10F3N3O3S and a molecular weight of 357.31 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID66880556
Molecular FormulaC14H10F3N3O3S
Molecular Weight357.31 g/mol
Exact Mass357.04
IUPAC Name2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCS(=O)(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C14H10F3N3O3S/c1-2-24(21,22)11-7-18-4-3-9(11)12-20-10-5-8(14(15,16)17)6-19-13(10)23-12/h3-7H,2H2,1H3
InChIKeyKCCHTGWIRHDZGF-UHFFFAOYSA-N
XLogP3.10
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

Oxazosulfyl
CID 90258515
2-[2-(4-Fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine
CID 155538119
2-[3-[[2-[4-(Trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]methylsulfanyl]phenyl]acetic acid
CID 10456113
2-[3-(2,2-Difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 58148269
2-(3-Fluoro-4-pyridinyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 58148271
2-(3-Ethylthio pyridin-4-yl)-5-(trifluoromethyl)benzoxazole
CID 66879407
2-[3-(Methoxymethyl)pyridin-4-yl]-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 66879419
2-[3-(Methylthio)pyridin-4-yl]-5-(trifluoromethyl)benzoxazole
CID 66879594
2-(3-Methylsulfinylpyridin-4-yl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 66879671
2-(3-Methoxypyridin-4-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 66879674
2-(3-Ethylpyridin-4-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 66879838
2-(3-Methylsulfonylpyridin-4-yl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 66879851

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 66880556) is 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is CCS(=O)(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1.
What is the InChIKey of 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is KCCHTGWIRHDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S/c1-2-24(21,22)11-7-18-4-3-9(11)12-20-10-5-8(14(15,16)17)6-19-13(10)23-12/h3-7H,2H2,1H3.
What are the key properties of 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 357.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 66880556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).