[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

C18H17F3N4O3 — CID 118378996

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cnc3c(-c4cnco4)cc(C(F)(F)F)cn23)C[C@H](C)O1
InChIInChI=1S/C18H17F3N4O3/c1-10-6-24(7-11(2)28-10)17(26)14-4-23-16-13(15-5-22-9-27-15)3-12(8-25(14)16)18(19,20)21/h3-5,8-11H,6-7H2,1-2H3/t10-,11+
InChIKeyGXWIFDSZAZCQII-PHIMTYICSA-N
MW394.35 g/mol
LogP3.26
Rot. Bonds2

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118378996) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID118378996
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cnc3c(-c4cnco4)cc(C(F)(F)F)cn23)C[C@H](C)O1
InChIInChI=1S/C18H17F3N4O3/c1-10-6-24(7-11(2)28-10)17(26)14-4-23-16-13(15-5-22-9-27-15)3-12(8-25(14)16)18(19,20)21/h3-5,8-11H,6-7H2,1-2H3/t10-,11+
InChIKeyGXWIFDSZAZCQII-PHIMTYICSA-N
XLogP3.26
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of [(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) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is C[C@@H]1CN(C(=O)c2cnc3c(-c4cnco4)cc(C(F)(F)F)cn23)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is GXWIFDSZAZCQII-PHIMTYICSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-10-6-24(7-11(2)28-10)17(26)14-4-23-16-13(15-5-22-9-27-15)3-12(8-25(14)16)18(19,20)21/h3-5,8-11H,6-7H2,1-2H3/t10-,11+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 394.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118378996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).