Home Other Building Blocks 3-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]morpholine, trifluoroacetic acid

3-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]morpholine, trifluoroacetic acid

CAS No.:
1803582-51-5
Catalog Number:
AG01BEN6
Molecular Formula:
C11H16F3N3O4
Molecular Weight:
311.2576
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Product Description
Catalog Number:
AG01BEN6
Chemical Name:
3-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]morpholine, trifluoroacetic acid
CAS Number:
1803582-51-5
Molecular Formula:
C11H16F3N3O4
Molecular Weight:
311.2576
MDL Number:
MFCD28118369
IUPAC Name:
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H15N3O2.C2HF3O2/c1-6(2)8-11-12-9(14-8)7-5-13-4-3-10-7;3-2(4,5)1(6)7/h6-7,10H,3-5H2,1-2H3;(H,6,7)
InChI Key:
COWSJORVTFVHGU-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CC(c1nnc(o1)C1NCCOC1)C
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.109g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
311.261g/mol
Monoisotopic Mass:
311.109g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties