8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

C13H18N4O3 — CID 104971174

About 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 104971174) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

• Compound Name: 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
• PubChem CID: 104971174
• Molecular Formula: C13H18N4O3
• Molecular Weight: 278.31 g/mol
• Exact Mass: 278.14
• IUPAC Name: 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
• SMILES: O=C(c1noc(C2CCCN2)n1)N1CC2CCC(C1)O2
• InChI: InChI=1S/C13H18N4O3/c18-13(17-6-8-3-4-9(7-17)19-8)11-15-12(20-16-11)10-2-1-5-14-10/h8-10,14H,1-7H2
• InChIKey: ZEHXARWNENYPGM-UHFFFAOYSA-N
• XLogP: 0.50
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.31
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?

The IUPAC name of 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (CID 104971174) is 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.

What is the SMILES notation for 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?

The canonical SMILES for 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is O=C(c1noc(C2CCCN2)n1)N1CC2CCC(C1)O2.

What is the InChIKey of 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?

The InChIKey is ZEHXARWNENYPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-13(17-6-8-3-4-9(7-17)19-8)11-15-12(20-16-11)10-2-1-5-14-10/h8-10,14H,1-7H2.

What are the key properties of 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?

8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 278.31 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 104971174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).