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

C14H10F3N3O3S — CID 90327224

IUPAC2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C14H10F3N3O3S/c1-2-24(21,22)10-4-3-5-18-11(10)13-20-9-6-8(14(15,16)17)7-19-12(9)23-13/h3-7H,2H2,1H3
InChIKeyREUNXFSRKOVCHO-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.10
Rot. Bonds3

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

2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 90327224) has the molecular formula C14H10F3N3O3S and a molecular weight of 357.31 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID90327224
Molecular FormulaC14H10F3N3O3S
Molecular Weight357.31 g/mol
Exact Mass357.04
IUPAC Name2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C14H10F3N3O3S/c1-2-24(21,22)10-4-3-5-18-11(10)13-20-9-6-8(14(15,16)17)7-19-12(9)23-13/h3-7H,2H2,1H3
InChIKeyREUNXFSRKOVCHO-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

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Related Compounds

2-(3-ethylsulfonylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 129100027
6-bromo-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine
CID 137378448
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-methylsulfonyl-[1,3]oxazolo[5,4-b]pyridine
CID 118490947
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethylsulfonyl)-[1,3]oxazolo[5,4-b]pyridine
CID 90268447
6-chloro-2-(3-ethylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 76955661
2-(6-bromo-3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 126574537
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 155660470
5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole
CID 90275847
3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine
CID 126736116
2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 66880533
2-(3-ethylsulfonyl-1-oxidopyridin-1-ium-2-yl)-6-methylsulfonyl-[1,3]oxazolo[5,4-b]pyridine
CID 118581465
N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine
CID 159537854

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 90327224) is 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is CCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cnc2o1.
What is the InChIKey of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is REUNXFSRKOVCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S/c1-2-24(21,22)10-4-3-5-18-11(10)13-20-9-6-8(14(15,16)17)7-19-12(9)23-13/h3-7H,2H2,1H3.
What are the key properties of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(3-ethylsulfonyl-2-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-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 90327224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).