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1-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]isoquinoline

1-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]isoquinoline

CAS: 1402851-53-9

Formula: C16H18N2O

SMILES: CC(C)(C)[C@@H]1COC(=N1)C1=NC=CC2=CC=CC=C12

IUPAC: 1-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]isoquinoline

InChI: InChI=1S/C16H18N2O/c1-16(2,3)13-10-19-15(18-13)14-12-7-5-4-6-11(12)8-9-17-14/h4-9,13H,10H2,1-3H3/t13-/m0/s1

Composition: C (75.56%), H (7.13%), N (11.01%), O (6.29%)

Molar Mass: 254.333

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 254.141913208
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YFSNGZCIVOUXHS-ZDUSSCGKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.07
Topological Polar Surface Area 34.48
Polarizability 30.56
Ring Count 3
Rotatable Bond Count 2

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