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

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

CAS: 2757083-35-3

Formula: C19H16N2O

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

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

InChI: InChI=1S/C19H16N2O/c1-2-6-14(7-3-1)12-16-13-22-19(21-16)18-17-9-5-4-8-15(17)10-11-20-18/h1-11,16H,12-13H2/t16-/m1/s1

Composition: C (79.14%), H (5.59%), N (9.72%), O (5.55%)

Molar Mass: 288.35

Atom Count: 38

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 288.126263143
Formal Charge 0
FSP3 0.16
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XZIVMSMUJWFAHH-MRXNPFEDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.3
Topological Polar Surface Area 34.48
Polarizability 34.57
Ring Count 4
Rotatable Bond Count 3

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