[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

C17H13F3N4O3 — CID 118379015

IUPAC[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESO=C(c1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12)N1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)9-1-12(14-4-21-8-27-14)15-22-3-13(24(15)5-9)16(25)23-6-11-2-10(23)7-26-11/h1,3-5,8,10-11H,2,6-7H2/t10-,11-/m0/s1
InChIKeyGDZLCUDMXQDGFY-QWRGUYRKSA-N
MW378.31 g/mol
LogP2.62
Rot. Bonds2

About [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118379015) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID118379015
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC Name[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESO=C(c1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12)N1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)9-1-12(14-4-21-8-27-14)15-22-3-13(24(15)5-9)16(25)23-6-11-2-10(23)7-26-11/h1,3-5,8,10-11H,2,6-7H2/t10-,11-/m0/s1
InChIKeyGDZLCUDMXQDGFY-QWRGUYRKSA-N
XLogP2.62
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378996
azetidin-1-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378971
(2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378862
(4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378860
N,N-dimethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118379021
N-ethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118378928
8-(1,3-oxazol-5-yl)-N-(oxolan-3-ylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118378946
[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 118379027
[6-(difluoromethyl)-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 118399769
(3,3-difluoroazetidin-1-yl)-[6-ethyl-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118399756
(4-tert-butylphenyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122160451
3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
CID 118862296

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118379015) is [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is O=C(c1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12)N1C[C@@H]2C[C@H]1CO2.
What is the InChIKey of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is GDZLCUDMXQDGFY-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c18-17(19,20)9-1-12(14-4-21-8-27-14)15-22-3-13(24(15)5-9)16(25)23-6-11-2-10(23)7-26-11/h1,3-5,8,10-11H,2,6-7H2/t10-,11-/m0/s1.
What are the key properties of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 378.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118379015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).