(3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

C18H20N6O — CID 58088114

IUPAC(3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESc1cncc(-c2cnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)cn2)c1
InChIInChI=1S/C18H20N6O/c1-2-13(8-19-5-1)15-9-21-16(10-20-15)23-17-22-11-18(25-17)12-24-6-3-14(18)4-7-24/h1-2,5,8-10,14H,3-4,6-7,11-12H2,(H,21,22,23)/t18-/m0/s1
InChIKeyPIFLATPNVAJZIA-SFHVURJKSA-N
MW336.40 g/mol
LogP1.80
Rot. Bonds2

About (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

(3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 58088114) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID58088114
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESc1cncc(-c2cnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)cn2)c1
InChIInChI=1S/C18H20N6O/c1-2-13(8-19-5-1)15-9-21-16(10-20-15)23-17-22-11-18(25-17)12-24-6-3-14(18)4-7-24/h1-2,5,8-10,14H,3-4,6-7,11-12H2,(H,21,22,23)/t18-/m0/s1
InChIKeyPIFLATPNVAJZIA-SFHVURJKSA-N
XLogP1.80
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine with MolForge

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Related Compounds

N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 76663413
(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 59286675
N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 75954292
N-([1,3]oxazolo[4,5-b]pyridin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 76663423
(3R)-N-(6-methylisoquinolin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088264
(3R)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088141
N-(6,8-dimethylisoquinolin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 76663400
(5R,6R)-N-isoquinolin-3-ylspiro[1-azabicyclo[3.2.1]octane-6,5'-4H-1,3-oxazole]-2'-amine
CID 58497605
(5R)-3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11325305
3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69053732
(3R,4S)-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylspiro[1-azabicyclo[2.2.1]heptane-3,5'-4H-1,3-oxazole]-2'-amine
CID 52934900
(3S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 87125654

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 58088114) is (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is c1cncc(-c2cnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)cn2)c1.
What is the InChIKey of (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is PIFLATPNVAJZIA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-13(8-19-5-1)15-9-21-16(10-20-15)23-17-22-11-18(25-17)12-24-6-3-14(18)4-7-24/h1-2,5,8-10,14H,3-4,6-7,11-12H2,(H,21,22,23)/t18-/m0/s1.
What are the key properties of (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
(3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 336.40 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-pyridin-3-ylpyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58088114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).