2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole

C13H21N3O2 — CID 91128539

IUPAC2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole
SMILESCOCc1nnc(C2CC3CCCC(C2)N3C)o1
InChIInChI=1S/C13H21N3O2/c1-16-10-4-3-5-11(16)7-9(6-10)13-15-14-12(18-13)8-17-2/h9-11H,3-8H2,1-2H3
InChIKeyDGEMUKOMZUYONJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.95
Rot. Bonds3

About 2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole

2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole (PubChem CID 91128539) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole
PubChem CID91128539
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole
SMILESCOCc1nnc(C2CC3CCCC(C2)N3C)o1
InChIInChI=1S/C13H21N3O2/c1-16-10-4-3-5-11(16)7-9(6-10)13-15-14-12(18-13)8-17-2/h9-11H,3-8H2,1-2H3
InChIKeyDGEMUKOMZUYONJ-UHFFFAOYSA-N
XLogP1.95
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole (CID 91128539) is 2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole is COCc1nnc(C2CC3CCCC(C2)N3C)o1.
What is the InChIKey of 2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole?
The InChIKey is DGEMUKOMZUYONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16-10-4-3-5-11(16)7-9(6-10)13-15-14-12(18-13)8-17-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole?
2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 91128539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).