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(2R,6S)-4-{4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]benzoyl}-2,6-dimethylmorpholine

(2R,6S)-4-{4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]benzoyl}-2,6-dimethylmorpholine

CAS: 1186662-45-2

Formula: C16H18ClN3O3

SMILES: C[C@H]1CN(C[C@@H](C)O1)C(=O)C1=CC=C(C=C1)C1=NOC(CCl)=N1

IUPAC: (2R,6S)-4-{4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]benzoyl}-2,6-dimethylmorpholine

InChI: InChI=1S/C16H18ClN3O3/c1-10-8-20(9-11(2)22-10)16(21)13-5-3-12(4-6-13)15-18-14(7-17)23-19-15/h3-6,10-11H,7-9H2,1-2H3/t10-,11+

Composition: C (57.23%), H (5.40%), Cl (10.56%), N (12.51%), O (14.29%)

Molar Mass: 335.79

Atom Count: 41

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 335.1036692
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey KGBJFFJRVIQYJU-PHIMTYICSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.06
Topological Polar Surface Area 68.46
Polarizability 33.28
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1186662-45-2 $336.89$336.89
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