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

C16H14F3N4O3+ — CID 175684269

IUPACmorpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone
SMILESO=C(c1c[nH]c2c(-c3cnco3)cc(C(F)(F)F)c[n+]12)N1CCOCC1
InChIInChI=1S/C16H13F3N4O3/c17-16(18,19)10-5-11(13-7-20-9-26-13)14-21-6-12(23(14)8-10)15(24)22-1-3-25-4-2-22/h5-9H,1-4H2/p+1
InChIKeyGILHOIQFFNXIHR-UHFFFAOYSA-O
MW367.31 g/mol
LogP1.90
Rot. Bonds2

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

morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone (PubChem CID 175684269) has the molecular formula C16H14F3N4O3+ and a molecular weight of 367.31 g/mol. Its IUPAC name is morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone
PubChem CID175684269
Molecular FormulaC16H14F3N4O3+
Molecular Weight367.31 g/mol
Exact Mass367.10
IUPAC Namemorpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone
SMILESO=C(c1c[nH]c2c(-c3cnco3)cc(C(F)(F)F)c[n+]12)N1CCOCC1
InChIInChI=1S/C16H13F3N4O3/c17-16(18,19)10-5-11(13-7-20-9-26-13)14-21-6-12(23(14)8-10)15(24)22-1-3-25-4-2-22/h5-9H,1-4H2/p+1
InChIKeyGILHOIQFFNXIHR-UHFFFAOYSA-O
XLogP1.90
TPSA75.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone (CID 175684269) is morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone is O=C(c1c[nH]c2c(-c3cnco3)cc(C(F)(F)F)c[n+]12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone?
The InChIKey is GILHOIQFFNXIHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13F3N4O3/c17-16(18,19)10-5-11(13-7-20-9-26-13)14-21-6-12(23(14)8-10)15(24)22-1-3-25-4-2-22/h5-9H,1-4H2/p+1.
What are the key properties of morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone?
morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone has a molecular weight of 367.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone is sourced from PubChem (CID 175684269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).