Text Search
Structure Search

1-[(3aR,8aS)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]isoquinoline

1-[(3aR,8aS)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]isoquinoline

CAS: 2126902-95-0

Formula: C19H14N2O

SMILES: C1[C@@H]2OC(=N[C@@H]2C2=CC=CC=C12)C1=NC=CC2=CC=CC=C12

IUPAC: 1-[(3aR,8aS)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]isoquinoline

InChI: InChI=1S/C19H14N2O/c1-3-7-14-12(5-1)9-10-20-18(14)19-21-17-15-8-4-2-6-13(15)11-16(17)22-19/h1-10,16-17H,11H2/t16-,17+/m0/s1

Composition: C (79.70%), H (4.93%), N (9.78%), O (5.59%)

Molar Mass: 286.334

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 286.110613079
Formal Charge 0
FSP3 0.16
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey NCKOPXFDULSZAA-DLBZAZTESA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.52
Topological Polar Surface Area 34.48
Polarizability 33.82
Ring Count 5
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 2126902-95-0 $38.34-$302.01$38.34$94.44$302.01
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
99% <5 Days 2126902-95-0 $121.06-$591.41$121.06$205.54$591.41
Request Quote