(1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C17H23N5O3 — CID 72899290

IUPAC(1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1nnc(-c3ccco3)o1)C2
InChIInChI=1S/C17H23N5O3/c1-20(2)17(23)22-9-12-5-6-13(10-22)21(8-12)11-15-18-19-16(25-15)14-4-3-7-24-14/h3-4,7,12-13H,5-6,8-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyFKCWMCYCSSMJBH-CHWSQXEVSA-N
MW345.40 g/mol
LogP1.91
Rot. Bonds3

About (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

(1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 72899290) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID72899290
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1nnc(-c3ccco3)o1)C2
InChIInChI=1S/C17H23N5O3/c1-20(2)17(23)22-9-12-5-6-13(10-22)21(8-12)11-15-18-19-16(25-15)14-4-3-7-24-14/h3-4,7,12-13H,5-6,8-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyFKCWMCYCSSMJBH-CHWSQXEVSA-N
XLogP1.91
TPSA78.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 72899290) is (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1nnc(-c3ccco3)o1)C2.
What is the InChIKey of (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is FKCWMCYCSSMJBH-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-20(2)17(23)22-9-12-5-6-13(10-22)21(8-12)11-15-18-19-16(25-15)14-4-3-7-24-14/h3-4,7,12-13H,5-6,8-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
(1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 72899290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).