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

C19H12F3N3O4S — CID 58067434

IUPAC2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESO=S(=O)(Cc1cc(-c2nc3ncccc3o2)ccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H12F3N3O4S/c20-19(21,22)29-14-3-5-15(6-4-14)30(26,27)11-13-10-12(7-9-23-13)18-25-17-16(28-18)2-1-8-24-17/h1-10H,11H2
InChIKeyACCAAINSBOYORV-UHFFFAOYSA-N
MW435.38 g/mol
LogP4.16
Rot. Bonds5

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

2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 58067434) has the molecular formula C19H12F3N3O4S and a molecular weight of 435.38 g/mol. Its IUPAC name is 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID58067434
Molecular FormulaC19H12F3N3O4S
Molecular Weight435.38 g/mol
Exact Mass435.05
IUPAC Name2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESO=S(=O)(Cc1cc(-c2nc3ncccc3o2)ccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H12F3N3O4S/c20-19(21,22)29-14-3-5-15(6-4-14)30(26,27)11-13-10-12(7-9-23-13)18-25-17-16(28-18)2-1-8-24-17/h1-10H,11H2
InChIKeyACCAAINSBOYORV-UHFFFAOYSA-N
XLogP4.16
TPSA95.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine with MolForge

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Related Compounds

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
CID 134794322
CID 134794322
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
3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-N-oxazolo[4,5-b]pyridin-2-yl-propionamide
CID 57378499
2-[4-([1,3]Oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 58067375
2-[2-[[2-(Trifluoromethyl)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
CID 58067404
(4-Fluorophenyl) 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetate
CID 58067465
1-[4-([1,3]Oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]propane-2-thione
CID 58067469

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine (CID 58067434) is 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine is O=S(=O)(Cc1cc(-c2nc3ncccc3o2)ccn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is ACCAAINSBOYORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O4S/c20-19(21,22)29-14-3-5-15(6-4-14)30(26,27)11-13-10-12(7-9-23-13)18-25-17-16(28-18)2-1-8-24-17/h1-10H,11H2.
What are the key properties of 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 435.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]-4-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 58067434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).