3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole

C17H24N4O3 — CID 72936980

IUPAC3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCN1C[C@H]2CC[C@@H]1CN(Cc1nc(-c3ccco3)no1)C2
InChIInChI=1S/C17H24N4O3/c1-22-8-6-21-10-13-4-5-14(21)11-20(9-13)12-16-18-17(19-24-16)15-3-2-7-23-15/h2-3,7,13-14H,4-6,8-12H2,1H3/t13-,14+/m0/s1
InChIKeyHEYUOULTFQRJKF-UONOGXRCSA-N
MW332.40 g/mol
LogP1.87
Rot. Bonds6

About 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole

3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 72936980) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID72936980
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCN1C[C@H]2CC[C@@H]1CN(Cc1nc(-c3ccco3)no1)C2
InChIInChI=1S/C17H24N4O3/c1-22-8-6-21-10-13-4-5-14(21)11-20(9-13)12-16-18-17(19-24-16)15-3-2-7-23-15/h2-3,7,13-14H,4-6,8-12H2,1H3/t13-,14+/m0/s1
InChIKeyHEYUOULTFQRJKF-UONOGXRCSA-N
XLogP1.87
TPSA67.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1-methylbenzimidazole
CID 133111250
2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]quinoline
CID 155549845
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917768
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
(1R,5S)-6-(2-methoxyethyl)-3-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133117568
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102935790
N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 80546709
3-[(1S,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 133129510
1-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one
CID 137342822

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole (CID 72936980) is 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole is COCCN1C[C@H]2CC[C@@H]1CN(Cc1nc(-c3ccco3)no1)C2.
What is the InChIKey of 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is HEYUOULTFQRJKF-UONOGXRCSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-22-8-6-21-10-13-4-5-14(21)11-20(9-13)12-16-18-17(19-24-16)15-3-2-7-23-15/h2-3,7,13-14H,4-6,8-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 332.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72936980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).