N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid

C15H22F3N3O4 — CID 154886780

IUPACN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)Cn1cncc1CNC(=O)C1CCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H21N3O2.C2HF3O2/c1-10(2)8-16-9-14-6-11(16)7-15-13(17)12-4-3-5-18-12;3-2(4,5)1(6)7/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,15,17);(H,6,7)
InChIKeyJXUFRKXAANMOEF-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.97
Rot. Bonds5

About N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid

N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154886780) has the molecular formula C15H22F3N3O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154886780
Molecular FormulaC15H22F3N3O4
Molecular Weight365.35 g/mol
Exact Mass365.16
IUPAC NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)Cn1cncc1CNC(=O)C1CCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H21N3O2.C2HF3O2/c1-10(2)8-16-9-14-6-11(16)7-15-13(17)12-4-3-5-18-12;3-2(4,5)1(6)7/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,15,17);(H,6,7)
InChIKeyJXUFRKXAANMOEF-UHFFFAOYSA-N
XLogP1.97
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129002386
3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129002393
(2S,3R)-3-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129332188
(2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129332189
(2R,5R)-5-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129337324
(2R,5R)-5-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129337325
(2S,5R)-5-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129346856
(2S,5R)-5-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129346857
(2R,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129537209
(2R,3R)-3-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
CID 129537210
oxolan-2-yl-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155830860
[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155830892

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154886780) is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)Cn1cncc1CNC(=O)C1CCCO1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JXUFRKXAANMOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.C2HF3O2/c1-10(2)8-16-9-14-6-11(16)7-15-13(17)12-4-3-5-18-12;3-2(4,5)1(6)7/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,15,17);(H,6,7).
What are the key properties of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 365.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).