N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

C13H15BrClN5O — CID 75954292

IUPACN-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESClc1nc(NC2=NCC3(CN4CCC3CC4)O2)cnc1Br
InChIInChI=1S/C13H15BrClN5O/c14-10-11(15)18-9(5-16-10)19-12-17-6-13(21-12)7-20-3-1-8(13)2-4-20/h5,8H,1-4,6-7H2,(H,17,18,19)
InChIKeyMYEBCMISOZPEHE-UHFFFAOYSA-N
MW372.65 g/mol
LogP2.15
Rot. Bonds1

About N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 75954292) has the molecular formula C13H15BrClN5O and a molecular weight of 372.65 g/mol. Its IUPAC name is N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound NameN-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID75954292
Molecular FormulaC13H15BrClN5O
Molecular Weight372.65 g/mol
Exact Mass371.01
IUPAC NameN-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESClc1nc(NC2=NCC3(CN4CCC3CC4)O2)cnc1Br
InChIInChI=1S/C13H15BrClN5O/c14-10-11(15)18-9(5-16-10)19-12-17-6-13(21-12)7-20-3-1-8(13)2-4-20/h5,8H,1-4,6-7H2,(H,17,18,19)
InChIKeyMYEBCMISOZPEHE-UHFFFAOYSA-N
XLogP2.15
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 75954292) is N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is Clc1nc(NC2=NCC3(CN4CCC3CC4)O2)cnc1Br.
What is the InChIKey of N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is MYEBCMISOZPEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN5O/c14-10-11(15)18-9(5-16-10)19-12-17-6-13(21-12)7-20-3-1-8(13)2-4-20/h5,8H,1-4,6-7H2,(H,17,18,19).
What are the key properties of N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 372.65 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 75954292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).