5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole

C12H17N3O — CID 10376142

IUPAC5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole
SMILESc1cc(N2CCC3(C2)C2CCN3CC2)on1
InChIInChI=1S/C12H17N3O/c1-5-13-16-11(1)14-8-4-12(9-14)10-2-6-15(12)7-3-10/h1,5,10H,2-4,6-9H2
InChIKeyFYWMVMUSKOOASU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.35
Rot. Bonds1

About 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole

5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole (PubChem CID 10376142) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole.

Molecular Properties

Compound Name5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole
PubChem CID10376142
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole
SMILESc1cc(N2CCC3(C2)C2CCN3CC2)on1
InChIInChI=1S/C12H17N3O/c1-5-13-16-11(1)14-8-4-12(9-14)10-2-6-15(12)7-3-10/h1,5,10H,2-4,6-9H2
InChIKeyFYWMVMUSKOOASU-UHFFFAOYSA-N
XLogP1.35
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole?
The IUPAC name of 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole (CID 10376142) is 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole.
What is the SMILES notation for 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole?
The canonical SMILES for 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole is c1cc(N2CCC3(C2)C2CCN3CC2)on1.
What is the InChIKey of 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole?
The InChIKey is FYWMVMUSKOOASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-5-13-16-11(1)14-8-4-12(9-14)10-2-6-15(12)7-3-10/h1,5,10H,2-4,6-9H2.
What are the key properties of 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole?
5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole has a molecular weight of 219.29 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1'-yl-1,2-oxazole is sourced from PubChem (CID 10376142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).