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

C23H26N4O2 — CID 72902103

IUPAC2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CN3C[C@H]4CC[C@@H]3CN(C3Cc5ccccc5C3)C4)o2)c1
InChIInChI=1S/C23H26N4O2/c1-2-5-18-11-20(10-17(18)4-1)26-12-16-7-8-19(14-26)27(13-16)15-22-24-25-23(29-22)21-6-3-9-28-21/h1-6,9,16,19-20H,7-8,10-15H2/t16-,19+/m0/s1
InChIKeyOKLNCCFKGLMSBR-QFBILLFUSA-N
MW390.49 g/mol
LogP3.39
Rot. Bonds4

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

2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 72902103) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID72902103
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CN3C[C@H]4CC[C@@H]3CN(C3Cc5ccccc5C3)C4)o2)c1
InChIInChI=1S/C23H26N4O2/c1-2-5-18-11-20(10-17(18)4-1)26-12-16-7-8-19(14-26)27(13-16)15-22-24-25-23(29-22)21-6-3-9-28-21/h1-6,9,16,19-20H,7-8,10-15H2/t16-,19+/m0/s1
InChIKeyOKLNCCFKGLMSBR-QFBILLFUSA-N
XLogP3.39
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 72902103) is 2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is c1coc(-c2nnc(CN3C[C@H]4CC[C@@H]3CN(C3Cc5ccccc5C3)C4)o2)c1.
What is the InChIKey of 2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is OKLNCCFKGLMSBR-QFBILLFUSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-5-18-11-20(10-17(18)4-1)26-12-16-7-8-19(14-26)27(13-16)15-22-24-25-23(29-22)21-6-3-9-28-21/h1-6,9,16,19-20H,7-8,10-15H2/t16-,19+/m0/s1.
What are the key properties of 2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 390.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 72902103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).