(3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

C18H20N4O — CID 134132529

IUPAC(3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccc2c1
InChIInChI=1S/C18H20N4O/c1-2-4-15-13(3-1)5-8-19-16(15)21-17-20-11-18(23-17)12-22-9-6-14(18)7-10-22/h1-5,8,14H,6-7,9-12H2,(H,19,20,21)/t18-/m0/s1
InChIKeyOTVFVXZAZCJJAE-SFHVURJKSA-N
MW308.38 g/mol
LogP2.50
Rot. Bonds1

About (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

(3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 134132529) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID134132529
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
SMILESc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccc2c1
InChIInChI=1S/C18H20N4O/c1-2-4-15-13(3-1)5-8-19-16(15)21-17-20-11-18(23-17)12-22-9-6-14(18)7-10-22/h1-5,8,14H,6-7,9-12H2,(H,19,20,21)/t18-/m0/s1
InChIKeyOTVFVXZAZCJJAE-SFHVURJKSA-N
XLogP2.50
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine (CID 134132529) is (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is c1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccc2c1.
What is the InChIKey of (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is OTVFVXZAZCJJAE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-4-15-13(3-1)5-8-19-16(15)21-17-20-11-18(23-17)12-22-9-6-14(18)7-10-22/h1-5,8,14H,6-7,9-12H2,(H,19,20,21)/t18-/m0/s1.
What are the key properties of (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine?
(3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 308.38 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 134132529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).