[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

C20H21F4N3O6 — CID 155839473

IUPAC[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
SMILESCc1ncoc1C(=O)N1CC2(C1)OCCC2CCOc1ncccc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20FN3O4.C2HF3O2/c1-12-15(25-11-21-12)17(23)22-9-18(10-22)13(5-8-26-18)4-7-24-16-14(19)3-2-6-20-16;3-2(4,5)1(6)7/h2-3,6,11,13H,4-5,7-10H2,1H3;(H,6,7)
InChIKeyKFWZLYMGMUYUPL-UHFFFAOYSA-N
MW475.40 g/mol
LogP2.85
Rot. Bonds5

About [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

[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 (PubChem CID 155839473) has the molecular formula C20H21F4N3O6 and a molecular weight of 475.40 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID155839473
Molecular FormulaC20H21F4N3O6
Molecular Weight475.40 g/mol
Exact Mass475.14
IUPAC Name[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
SMILESCc1ncoc1C(=O)N1CC2(C1)OCCC2CCOc1ncccc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20FN3O4.C2HF3O2/c1-12-15(25-11-21-12)17(23)22-9-18(10-22)13(5-8-26-18)4-7-24-16-14(19)3-2-6-20-16;3-2(4,5)1(6)7/h2-3,6,11,13H,4-5,7-10H2,1H3;(H,6,7)
InChIKeyKFWZLYMGMUYUPL-UHFFFAOYSA-N
XLogP2.85
TPSA114.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-butoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 126836254
[(3aS,6aS)-3a-(pyridin-3-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 127023542
{4,4-Difluoro-3-[(3-pyridylmethoxy)methyl]piperidino}(4-methyl-1,3-oxazol-5-yl)methanone
CID 124051352
[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124806987
[(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124806988
[(8S)-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
CID 124807589
[(8R)-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
CID 124807591
[4-[(3-Fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 128118867
[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
CID 131658514
[8-[2-[(3-Fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-oxazol-4-yl)methanone
CID 133139365
[8-[2-[(3-Fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 133143323
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide
CID 137975482

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1ncoc1C(=O)N1CC2(C1)OCCC2CCOc1ncccc1F.O=C(O)C(F)(F)F.
What is the InChIKey of [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?
The InChIKey is KFWZLYMGMUYUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4.C2HF3O2/c1-12-15(25-11-21-12)17(23)22-9-18(10-22)13(5-8-26-18)4-7-24-16-14(19)3-2-6-20-16;3-2(4,5)1(6)7/h2-3,6,11,13H,4-5,7-10H2,1H3;(H,6,7).
What are the key properties of [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?
[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 has a molecular weight of 475.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 155839473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).