939047-04-8
4-(CYCLOHEXYL(5-METHOXY-4-(4-NITROPHENYL)OXAZOL-2-YL)METHYL)MORPHOLINE
Name4-(CYCLOHEXYL(5-METHOXY-4-(4-NITROPHENYL)OXAZOL-2-YL)METHYL)MORPHOLINE
1Identification
【Name】
4-(CYCLOHEXYL(5-METHOXY-4-(4-NITROPHENYL)OXAZOL-2-YL)METHYL)MORPHOLINE
【CAS】
【MDL】
MFCD11707064
【English Synonyms】
【Formula】
C21 H27 N3 O5
【MolWeight】
401.46
【Inchi】
InChI=1S/C21H27N3O5/c1-27-21-18(15-7-9-17(10-8-15)24(25)26)22-20(29-21)19(16-5-3-2-4-6-16)23-11-13-28-14-12-23/h7-10,16,19H,2-6,11-14H2,1H3
【InChIKey】
InChIKey=WCTQXSFJCDFUEE-UHFFFAOYSA-N
【SMILES】
COc1c(nc(o1)C(C2CCCCC2)N3CCOCC3)c4ccc(cc4)[N+](=O)[O-]
【MOL File】
4-(CYCLOHEXYL(5-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(CYCLOHEXYL(5-METHOXY-4-(4-NITROPHENYL)OXAZOL-2-YL)METHYL)MORPHOLINE.cml