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

C19H12F3N3O3S — CID 58067404

IUPAC2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESO=S(=O)(Cc1cc(-c2nc3ncccc3o2)ccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F3N3O3S/c20-19(21,22)14-4-1-2-6-16(14)29(26,27)11-13-10-12(7-9-23-13)18-25-17-15(28-18)5-3-8-24-17/h1-10H,11H2
InChIKeyGTTHOMRDKUNZEZ-UHFFFAOYSA-N
MW419.38 g/mol
LogP4.28
Rot. Bonds4

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

2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 58067404) has the molecular formula C19H12F3N3O3S and a molecular weight of 419.38 g/mol. Its IUPAC name is 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID58067404
Molecular FormulaC19H12F3N3O3S
Molecular Weight419.38 g/mol
Exact Mass419.06
IUPAC Name2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESO=S(=O)(Cc1cc(-c2nc3ncccc3o2)ccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F3N3O3S/c20-19(21,22)14-4-1-2-6-16(14)29(26,27)11-13-10-12(7-9-23-13)18-25-17-15(28-18)5-3-8-24-17/h1-10H,11H2
InChIKeyGTTHOMRDKUNZEZ-UHFFFAOYSA-N
XLogP4.28
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16027127
5-ethylsulfonyl-N-[5-(trifluoromethyl)pyridin-2-yl]-1,3-benzoxazol-2-amine
CID 57391285
2-[2-(4-Fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine
CID 155525230
2-(2-(Methylthio)phenyl)oxazolo[4,5-b]pyridine
CID 12461383
4-Methoxy-3,5-dimethyl-2-({[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}methyl)pyridine
CID 20948945
2-{[1,3]Oxazolo[4,5-B]pyridin-2-ylsulfanyl}-N-[2-(trifluoromethyl)phenyl]butanamide
CID 45106885
CID 134793793
CID 134793793
CID 134794322
CID 134794322
CID 134795163
CID 134795163
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 1141356
2-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
CID 20948828
2-[(3-Fluorobenzyl)sulfanyl][1,3]oxazolo[4,5-B]pyridine
CID 20948858

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine (CID 58067404) is 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine is O=S(=O)(Cc1cc(-c2nc3ncccc3o2)ccn1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is GTTHOMRDKUNZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O3S/c20-19(21,22)14-4-1-2-6-16(14)29(26,27)11-13-10-12(7-9-23-13)18-25-17-15(28-18)5-3-8-24-17/h1-10H,11H2.
What are the key properties of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 419.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 58067404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).