[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

C21H26F3N3O6 — CID 155832192

IUPAC[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
SMILESCc1ncoc1C(=O)N1CC2(CCC(CN(C)Cc3ccco3)CO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N3O4.C2HF3O2/c1-14-17(25-13-20-14)18(23)22-11-19(12-22)6-5-15(10-26-19)8-21(2)9-16-4-3-7-24-16;3-2(4,5)1(6)7/h3-4,7,13,15H,5-6,8-12H2,1-2H3;(H,6,7)
InChIKeyVEVZRASONHHWRL-UHFFFAOYSA-N
MW473.45 g/mol
LogP2.96
Rot. Bonds5

About [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

[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 (PubChem CID 155832192) has the molecular formula C21H26F3N3O6 and a molecular weight of 473.45 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID155832192
Molecular FormulaC21H26F3N3O6
Molecular Weight473.45 g/mol
Exact Mass473.18
IUPAC Name[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
SMILESCc1ncoc1C(=O)N1CC2(CCC(CN(C)Cc3ccco3)CO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N3O4.C2HF3O2/c1-14-17(25-13-20-14)18(23)22-11-19(12-22)6-5-15(10-26-19)8-21(2)9-16-4-3-7-24-16;3-2(4,5)1(6)7/h3-4,7,13,15H,5-6,8-12H2,1-2H3;(H,6,7)
InChIKeyVEVZRASONHHWRL-UHFFFAOYSA-N
XLogP2.96
TPSA109.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 52.96
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]-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

1-(4-Methyl-1,3-oxazole-5-carbonyl)-4-[3-phenoxy-1-(propan-2-YL)azetidin-2-YL]piperidine
CID 124077558
2-[[5-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]furan-2-yl]methyl-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3-oxazole-5-carbonyl]amino]acetic acid
CID 143649877
5-{3-[2-(4-Fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}-4-methyl-1,3-oxazole
CID 124042466
(4-Methyl-1,3-oxazol-5-yl)-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155837466
[(4R,4aS,7aS)-6-(furan-2-ylmethyl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155838948
[8-[2-[(3-Fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155839473
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
[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
(4-Methyl-1,3-oxazol-5-yl)-[8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155859696
(4-Methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155862106
(4-Methyl-1,3-oxazol-5-yl)-[8-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155864386
2-ethyl-N-{[1-(2-furylmethyl)piperidin-3-yl]methyl}-4-methyl-1,3-oxazole-5-carboxamide
CID 56721697

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]-(4-methyl-1,3-oxazol-5-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]-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid (CID 155832192) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1ncoc1C(=O)N1CC2(CCC(CN(C)Cc3ccco3)CO2)C1.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]-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is VEVZRASONHHWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4.C2HF3O2/c1-14-17(25-13-20-14)18(23)22-11-19(12-22)6-5-15(10-26-19)8-21(2)9-16-4-3-7-24-16;3-2(4,5)1(6)7/h3-4,7,13,15H,5-6,8-12H2,1-2H3;(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]-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid?
[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 has a molecular weight of 473.45 g/mol, XLogP of 2.96, 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]-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).