3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one

C10H15N3O2 — CID 19987335

IUPAC3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one
SMILESCn1c(CC2CN3CCC2C3)noc1=O
InChIInChI=1S/C10H15N3O2/c1-12-9(11-15-10(12)14)4-8-6-13-3-2-7(8)5-13/h7-8H,2-6H2,1H3
InChIKeyINNJJSDERMKHOS-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.13
Rot. Bonds2

About 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one

3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one (PubChem CID 19987335) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one
PubChem CID19987335
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one
SMILESCn1c(CC2CN3CCC2C3)noc1=O
InChIInChI=1S/C10H15N3O2/c1-12-9(11-15-10(12)14)4-8-6-13-3-2-7(8)5-13/h7-8H,2-6H2,1H3
InChIKeyINNJJSDERMKHOS-UHFFFAOYSA-N
XLogP-0.13
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one (CID 19987335) is 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one is Cn1c(CC2CN3CCC2C3)noc1=O.
What is the InChIKey of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one?
The InChIKey is INNJJSDERMKHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-9(11-15-10(12)14)4-8-6-13-3-2-7(8)5-13/h7-8H,2-6H2,1H3.
What are the key properties of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one?
3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one has a molecular weight of 209.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 19987335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).