[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid

C20H24F3N3O6 — CID 155850933

IUPAC[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCN(Cc1ccco1)CC1CCC2(CN(C(=O)c3cocn3)C2)OC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O4.C2HF3O2/c1-20(8-15-3-2-6-24-15)7-14-4-5-18(25-9-14)11-21(12-18)17(22)16-10-23-13-19-16;3-2(4,5)1(6)7/h2-3,6,10,13-14H,4-5,7-9,11-12H2,1H3;(H,6,7)
InChIKeyAZWKPJGEKBMAOD-UHFFFAOYSA-N
MW459.42 g/mol
LogP2.65
Rot. Bonds5

About [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid

[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155850933) has the molecular formula C20H24F3N3O6 and a molecular weight of 459.42 g/mol. Its IUPAC name is [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155850933
Molecular FormulaC20H24F3N3O6
Molecular Weight459.42 g/mol
Exact Mass459.16
IUPAC Name[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCN(Cc1ccco1)CC1CCC2(CN(C(=O)c3cocn3)C2)OC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O4.C2HF3O2/c1-20(8-15-3-2-6-24-15)7-14-4-5-18(25-9-14)11-21(12-18)17(22)16-10-23-13-19-16;3-2(4,5)1(6)7/h2-3,6,10,13-14H,4-5,7-9,11-12H2,1H3;(H,6,7)
InChIKeyAZWKPJGEKBMAOD-UHFFFAOYSA-N
XLogP2.65
TPSA109.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid 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

[(5aS,8aS)-4-(furan-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 127023078
2-[[(2,4-Difluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712590
2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-N-(furan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 42856458
tert-butyl N-[6-[[2-[[furan-2-ylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carbonyl]amino]hexyl]carbamate
CID 42882274
[7-[[Furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155832192
N-[[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850888
Methyl 2-[[furan-2-carbonyl(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810860
N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42855988
N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42855989
N-(furan-2-ylmethyl)-2-[[4-(2-hydroxyhexyl)piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42855991
N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42855992
2-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 42856213

Frequently Asked Questions

What is the IUPAC name of [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid (CID 155850933) is [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid is CN(Cc1ccco1)CC1CCC2(CN(C(=O)c3cocn3)C2)OC1.O=C(O)C(F)(F)F.
What is the InChIKey of [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is AZWKPJGEKBMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4.C2HF3O2/c1-20(8-15-3-2-6-24-15)7-14-4-5-18(25-9-14)11-21(12-18)17(22)16-10-23-13-19-16;3-2(4,5)1(6)7/h2-3,6,10,13-14H,4-5,7-9,11-12H2,1H3;(H,6,7).
What are the key properties of [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid?
[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 459.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).