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

C22H30N4O2 — CID 72843810

IUPAC5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)n1
InChIInChI=1S/C22H30N4O2/c1-27-9-8-21-23-22(28-24-21)15-26-13-16-6-7-19(26)14-25(12-16)20-10-17-4-2-3-5-18(17)11-20/h2-5,16,19-20H,6-15H2,1H3/t16-,19+/m0/s1
InChIKeyCVHSQMUDTPJGEG-QFBILLFUSA-N
MW382.51 g/mol
LogP2.32
Rot. Bonds6

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

5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 72843810) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID72843810
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)n1
InChIInChI=1S/C22H30N4O2/c1-27-9-8-21-23-22(28-24-21)15-26-13-16-6-7-19(26)14-25(12-16)20-10-17-4-2-3-5-18(17)11-20/h2-5,16,19-20H,6-15H2,1H3/t16-,19+/m0/s1
InChIKeyCVHSQMUDTPJGEG-QFBILLFUSA-N
XLogP2.32
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 155559084
5-[[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753344
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
3-(2-methoxyethyl)-5-[(3-pyridin-4-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 56880364
3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124758455
5-[[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 72864758
3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 29153501
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
(3S,4R)-4-(hydroxymethyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 56884679
5-[[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 95718553
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156607205
3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 126795033

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 72843810) is 5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(CN2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)n1.
What is the InChIKey of 5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is CVHSQMUDTPJGEG-QFBILLFUSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-27-9-8-21-23-22(28-24-21)15-26-13-16-6-7-19(26)14-25(12-16)20-10-17-4-2-3-5-18(17)11-20/h2-5,16,19-20H,6-15H2,1H3/t16-,19+/m0/s1.
What are the key properties of 5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 382.51 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 72843810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).