3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)

C24H31F6N3O7 — CID 155840175

IUPAC3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
SMILESCOCC1CN(Cc2ccco2)CC12CCN(Cc1cc(C)on1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H29N3O3.2C2HF3O2/c1-16-10-18(21-26-16)12-22-7-5-20(6-8-22)15-23(11-17(20)14-24-2)13-19-4-3-9-25-19;2*3-2(4,5)1(6)7/h3-4,9-10,17H,5-8,11-15H2,1-2H3;2*(H,6,7)
InChIKeyPRCOROXPABEVIU-UHFFFAOYSA-N
MW587.51 g/mol
LogP4.20
Rot. Bonds6

About 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)

3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155840175) has the molecular formula C24H31F6N3O7 and a molecular weight of 587.51 g/mol. Its IUPAC name is 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
PubChem CID155840175
Molecular FormulaC24H31F6N3O7
Molecular Weight587.51 g/mol
Exact Mass587.21
IUPAC Name3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
SMILESCOCC1CN(Cc2ccco2)CC12CCN(Cc1cc(C)on1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H29N3O3.2C2HF3O2/c1-16-10-18(21-26-16)12-22-7-5-20(6-8-22)15-23(11-17(20)14-24-2)13-19-4-3-9-25-19;2*3-2(4,5)1(6)7/h3-4,9-10,17H,5-8,11-15H2,1-2H3;2*(H,6,7)
InChIKeyPRCOROXPABEVIU-UHFFFAOYSA-N
XLogP4.20
TPSA129.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

8-(furan-2-ylmethyl)-4-(methoxymethyl)-2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859618
(4R)-8-[(4-fluorophenyl)methyl]-2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 124795333
[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133140386
furan-2-yl-[4-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 171693857
4-(methoxymethyl)-2-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155865418
8-(furan-2-ylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746867
[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 131654504
8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155864094
8-cyclopropylsulfonyl-4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171692801
8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155828711
8-(cyclobutylmethyl)-4-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171693220
N-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 127022112

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid) (CID 155840175) is 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid) is COCC1CN(Cc2ccco2)CC12CCN(Cc1cc(C)on1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is PRCOROXPABEVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.2C2HF3O2/c1-16-10-18(21-26-16)12-22-7-5-20(6-8-22)15-23(11-17(20)14-24-2)13-19-4-3-9-25-19;2*3-2(4,5)1(6)7/h3-4,9-10,17H,5-8,11-15H2,1-2H3;2*(H,6,7).
What are the key properties of 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)?
3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 587.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155840175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).