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2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidine

2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidine

CAS: 2634687-71-9

Formula: C13H11N3O

SMILES: C1OC(=N[C@H]1C1=CC=CC=C1)C1=NC=CC=N1

IUPAC: 2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidine

InChI: InChI=1S/C13H11N3O/c1-2-5-10(6-3-1)11-9-17-13(16-11)12-14-7-4-8-15-12/h1-8,11H,9H2/t11-/m1/s1

Composition: C (69.32%), H (4.92%), N (18.66%), O (7.10%)

Molar Mass: 225.251

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 225.090211986
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey DFVNFIDPLVNGNQ-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.95
Topological Polar Surface Area 47.37
Polarizability 24.34
Ring Count 3
Rotatable Bond Count 2

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