2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone

C20H12F3N3O3 — CID 58067375

IUPAC2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1cc(-c2nc3ncccc3o2)ccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H12F3N3O3/c21-20(22,23)29-15-5-3-12(4-6-15)16(27)11-14-10-13(7-9-24-14)19-26-18-17(28-19)2-1-8-25-18/h1-10H,11H2
InChIKeyJFZHJTDGIIBLCK-UHFFFAOYSA-N
MW399.33 g/mol
LogP4.61
Rot. Bonds5

About 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone

2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 58067375) has the molecular formula C20H12F3N3O3 and a molecular weight of 399.33 g/mol. Its IUPAC name is 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID58067375
Molecular FormulaC20H12F3N3O3
Molecular Weight399.33 g/mol
Exact Mass399.08
IUPAC Name2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1cc(-c2nc3ncccc3o2)ccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H12F3N3O3/c21-20(22,23)29-15-5-3-12(4-6-15)16(27)11-14-10-13(7-9-24-14)19-26-18-17(28-19)2-1-8-25-18/h1-10H,11H2
InChIKeyJFZHJTDGIIBLCK-UHFFFAOYSA-N
XLogP4.61
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone with MolForge

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Related Compounds

4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
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1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
3-[4-(Benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazol-2-yl}propan-1-one
CID 16736010
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
6-[3-([1,3]oxazolo[4,5-B]pyridin-2-Yl)-2-(Trifluoromethyl)phenoxy]-1-(2,4,6-Trifluorobenzyl)quinazolin-4(1h)-One
CID 58439216
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone
CID 9972176
1-[1,3]Oxazolo[4,5-b]pyridin-2-yloctan-1-one
CID 22486174
1-[1,3]Oxazolo[4,5-b]pyridin-2-yldecan-1-one
CID 22486175

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone (CID 58067375) is 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone is O=C(Cc1cc(-c2nc3ncccc3o2)ccn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is JFZHJTDGIIBLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O3/c21-20(22,23)29-15-5-3-12(4-6-15)16(27)11-14-10-13(7-9-24-14)19-26-18-17(28-19)2-1-8-25-18/h1-10H,11H2.
What are the key properties of 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone?
2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 399.33 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 58067375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).