5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole

C9H13N3O — CID 15076319

IUPAC5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C23CCN(CC2)C3)n1
InChIInChI=1S/C9H13N3O/c1-7-10-8(13-11-7)9-2-4-12(6-9)5-3-9/h2-6H2,1H3
InChIKeyNHUBSAODMUQWLR-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.73
Rot. Bonds1

About 5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole

5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 15076319) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID15076319
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C23CCN(CC2)C3)n1
InChIInChI=1S/C9H13N3O/c1-7-10-8(13-11-7)9-2-4-12(6-9)5-3-9/h2-6H2,1H3
InChIKeyNHUBSAODMUQWLR-UHFFFAOYSA-N
XLogP0.73
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole (CID 15076319) is 5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C23CCN(CC2)C3)n1.
What is the InChIKey of 5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is NHUBSAODMUQWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-10-8(13-11-7)9-2-4-12(6-9)5-3-9/h2-6H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 179.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.1]heptan-4-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 15076319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).