2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C12H19N5O2 — CID 115314292

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CCC3CCC(C2)N3)o1
InChIInChI=1S/C12H19N5O2/c1-8-15-16-12(19-8)14-11(18)7-17-5-4-9-2-3-10(6-17)13-9/h9-10,13H,2-7H2,1H3,(H,14,16,18)
InChIKeyJDAJGHQDMOEYHG-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.14
Rot. Bonds3

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 115314292) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID115314292
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CCC3CCC(C2)N3)o1
InChIInChI=1S/C12H19N5O2/c1-8-15-16-12(19-8)14-11(18)7-17-5-4-9-2-3-10(6-17)13-9/h9-10,13H,2-7H2,1H3,(H,14,16,18)
InChIKeyJDAJGHQDMOEYHG-UHFFFAOYSA-N
XLogP0.14
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 55064652
2-(3-hydroxypyrrolidin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 62918342
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 63264474
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 60972877
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81490149
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 81495718
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 103576790
N-(4-bromo-3-methylphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495521
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 81491285
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 81495475
N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81491367
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide
CID 81491039

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 115314292) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN2CCC3CCC(C2)N3)o1.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is JDAJGHQDMOEYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8-15-16-12(19-8)14-11(18)7-17-5-4-9-2-3-10(6-17)13-9/h9-10,13H,2-7H2,1H3,(H,14,16,18).
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 265.32 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 115314292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).