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(3aR,8aS)-2-{1-[(3aR,8aS)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclohexyl}-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole

(3aR,8aS)-2-{1-[(3aR,8aS)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclohexyl}-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole

CAS: 2097145-89-4

Formula: C26H26N2O2

SMILES: C1[C@@H]2OC(=N[C@@H]2C2=C1C=CC=C2)C1(CCCCC1)C1=N[C@H]2[C@H](CC3=C2C=CC=C3)O1

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

InChI: InChI=1S/C26H26N2O2/c1-6-12-26(13-7-1,24-27-22-18-10-4-2-8-16(18)14-20(22)29-24)25-28-23-19-11-5-3-9-17(19)15-21(23)30-25/h2-5,8-11,20-23H,1,6-7,12-15H2/t20-,21-,22+,23+/m0/s1

Composition: C (78.36%), H (6.58%), N (7.03%), O (8.03%)

Molar Mass: 398.506

Atom Count: 56

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 398.199428085
Formal Charge 0
FSP3 0.46
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey RPTWHOHESXOONM-MYDTUXCISA-N
Lipinski's Rule of Five
Molar Refractivity 114.63
Topological Polar Surface Area 43.18
Polarizability 44.73
Ring Count 7
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
99% <5 Days 2097145-89-4 $45.40-$517.01$45.40$142.49$517.01
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