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

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

CAS: 182122-13-0

Formula: C26H26N2O2

SMILES: C1C2OC(=NC2C2=C1C=CC=C2)C1(CCCCC1)C1=N[C@@H]2[C@@H](CC3=C2C=CC=C3)O1

IUPAC: 2-{1-[(3aS,8aR)-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?/m1/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-NHIVGREZSA-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	182122-13-0		$66.83-$1,505.63$66.83$146.28$418.65$1,505.63