(3aR,8aS)-2-(Isoquinolin-1-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole

Name: (3aR,8aS)-2-(Isoquinolin-1-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole
Brand: ChemScene
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CAS No. 2126902-95-0
Cat. No. CS-0145105
Purity≥95%
MDL No.None

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(3aR,8aS)-2-(Isoquinolin-1-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole|CS-0145105

Structure of 2126902-95-0

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General Information

CAS No. 2126902-95-0
Cat. No. CS-0145105
Purity ≥95%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₉H₁₄N₂O
Molecular Weight 286.33
Synonym(s) (3aR,8aS)-2-(Isoquinolin-1-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole
SMILES C1(C2=N[C@H](C(C=CC=C3)=C3C4)[C@H]4O2)=NC=CC5=C1C=CC=C5

Description

This indeno[1,2-d]oxazole features a fused polycyclic scaffold with an isoquinoline moiety, delivering enhanced rigidity and π-conjugation. The stereochemistry at the 3a and 8a positions ensures defined spatial orientation, beneficial for targeted molecular recognition in medicinal chemistry applications.

Application

(3aR,8aS)-2-(Isoquinolin-1-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole serves as a rigid, polycyclic scaffold for medicinal chemistry exploration. Its fused oxazole core exhibits enhanced metabolic stability and favorable binding geometry, enabling efficient incorporation into target-directed libraries. The isoquinolinyl moiety provides a versatile hydrogen-bonding and π-stacking interface, while the dihydroindeno structure offers conformational restraint. Bench-stable and amenable to functionalization at multiple sites, it facilitates rapid diversification in lead optimization campaigns.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 34.48
LogP 3.6776
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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(3aR,8aS)-2-(Isoquinolin-1-yl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole

CAS No. 2126902-95-0

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