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(4R)-4-tert-butyl-2-{10-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}-4,5-dihydro-1,3-oxazole

(4R)-4-tert-butyl-2-{10-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}-4,5-dihydro-1,3-oxazole

CAS: 2757082-90-7

Formula: C26H30N2O3

SMILES: CC(C)(C)[C@@H]1COC(=N1)C1=CC=CC2=C1OC1=C2C=CC=C1C1=N[C@@H](CO1)C(C)(C)C

IUPAC: (4R)-4-tert-butyl-2-{10-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}-4,5-dihydro-1,3-oxazole

InChI: InChI=1S/C26H30N2O3/c1-25(2,3)19-13-29-23(27-19)17-11-7-9-15-16-10-8-12-18(22(16)31-21(15)17)24-28-20(14-30-24)26(4,5)6/h7-12,19-20H,13-14H2,1-6H3/t19-,20-/m0/s1

Composition: C (74.61%), H (7.23%), N (6.69%), O (11.47%)

Molar Mass: 418.537

Atom Count: 61

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 418.225642834
Formal Charge 0
FSP3 0.46
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ZNOKFCCBAVCIIJ-PMACEKPBSA-N
Lipinski's Rule of Five
Molar Refractivity 121.41
Topological Polar Surface Area 56.32
Polarizability 49.41
Ring Count 5
Rotatable Bond Count 4

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