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

C17H15F3N4O3 — CID 118378862

IUPAC(2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCC1CN(C(=O)c2cnc3c(-c4cnco4)cc(C(F)(F)F)cn23)CCO1
InChIInChI=1S/C17H15F3N4O3/c1-10-7-23(2-3-26-10)16(25)13-5-22-15-12(14-6-21-9-27-14)4-11(8-24(13)15)17(18,19)20/h4-6,8-10H,2-3,7H2,1H3
InChIKeyDREOKSDVZWVJDI-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.87
Rot. Bonds2

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

(2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118378862) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is (2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID118378862
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Name(2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCC1CN(C(=O)c2cnc3c(-c4cnco4)cc(C(F)(F)F)cn23)CCO1
InChIInChI=1S/C17H15F3N4O3/c1-10-7-23(2-3-26-10)16(25)13-5-22-15-12(14-6-21-9-27-14)4-11(8-24(13)15)17(18,19)20/h4-6,8-10H,2-3,7H2,1H3
InChIKeyDREOKSDVZWVJDI-UHFFFAOYSA-N
XLogP2.87
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of (2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118378862) is (2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for (2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for (2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is CC1CN(C(=O)c2cnc3c(-c4cnco4)cc(C(F)(F)F)cn23)CCO1.
What is the InChIKey of (2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is DREOKSDVZWVJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-10-7-23(2-3-26-10)16(25)13-5-22-15-12(14-6-21-9-27-14)4-11(8-24(13)15)17(18,19)20/h4-6,8-10H,2-3,7H2,1H3.
What are the key properties of (2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
(2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 380.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118378862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).