(3R,5S)-pyrisoxazole

Properties Image MNX_ID MNXM149451 reference chebi:83827 formula C16H17ClN2O global charge 0 mol weight 288.778 InChIKey DHTJFQWHCVTNRY-JKSUJKDBSA-N InChI InChI=1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3/t15-,16+/m0/s1 SMILES CN1O[C@H](C2=CC=C(Cl)C=C2)C[C@]1(C)C1=CN=CC=C1 MNX internals InChI (mnx) InChI=1/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3/t15-,16+/m0/s1 SMILES (mnx) [CH3:1][C@:16]1([C:13]2=[CH:11][N:18]=[CH:9][CH:3]=[CH:4]2)[CH2:10][C@@H:15]([C:12]2=[CH:6][CH:8]=[C:14]([Cl:17])[CH:7]=[CH:5]2)[O:20][N:19]1[CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0