furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid

C19H23F3N4O6 — CID 155855736

IUPACfuran-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1nnc(N2CCOCC3(CCCN(C(=O)c4ccoc4)C3)C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O4.C2HF3O2/c1-13-18-19-16(25-13)21-6-8-24-12-17(11-21)4-2-5-20(10-17)15(22)14-3-7-23-9-14;3-2(4,5)1(6)7/h3,7,9H,2,4-6,8,10-12H2,1H3;(H,6,7)
InChIKeyJYOJPDMGBGEJLV-UHFFFAOYSA-N
MW460.41 g/mol
LogP2.36
Rot. Bonds2

About furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid

furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155855736) has the molecular formula C19H23F3N4O6 and a molecular weight of 460.41 g/mol. Its IUPAC name is furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namefuran-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155855736
Molecular FormulaC19H23F3N4O6
Molecular Weight460.41 g/mol
Exact Mass460.16
IUPAC Namefuran-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1nnc(N2CCOCC3(CCCN(C(=O)c4ccoc4)C3)C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O4.C2HF3O2/c1-13-18-19-16(25-13)21-6-8-24-12-17(11-21)4-2-5-20(10-17)15(22)14-3-7-23-9-14;3-2(4,5)1(6)7/h3,7,9H,2,4-6,8,10-12H2,1H3;(H,6,7)
InChIKeyJYOJPDMGBGEJLV-UHFFFAOYSA-N
XLogP2.36
TPSA122.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

furan-3-yl-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155837244
furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 134070456
furan-3-yl-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155838373
furan-3-yl-(8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118745048
(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155864338
pyrazin-2-yl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155853029
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 118744600
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
[(2R)-oxolan-2-yl]-[(6S)-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494631
2-[(5-methylfuran-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155840498
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 155855736) is furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid is Cc1nnc(N2CCOCC3(CCCN(C(=O)c4ccoc4)C3)C2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is JYOJPDMGBGEJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4.C2HF3O2/c1-13-18-19-16(25-13)21-6-8-24-12-17(11-21)4-2-5-20(10-17)15(22)14-3-7-23-9-14;3-2(4,5)1(6)7/h3,7,9H,2,4-6,8,10-12H2,1H3;(H,6,7).
What are the key properties of furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid?
furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 460.41 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155855736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).