Home Other Building Blocks methyl 3-[5-oxo-4-(propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-2-yl]propanoate

methyl 3-[5-oxo-4-(propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-2-yl]propanoate

CAS No.:
1443979-79-0
Catalog Number:
AG01A5J5
Molecular Formula:
C11H14F3NO4
Molecular Weight:
281.2284
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Product Description
Catalog Number:
AG01A5J5
Chemical Name:
methyl 3-[5-oxo-4-(propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-2-yl]propanoate
CAS Number:
1443979-79-0
Molecular Formula:
C11H14F3NO4
Molecular Weight:
281.2284
MDL Number:
MFCD24842921
IUPAC Name:
methyl 3-[5-oxo-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazol-2-yl]propanoate
InChI:
InChI=1S/C11H14F3NO4/c1-6(2)8-9(17)19-10(15-8,11(12,13)14)5-4-7(16)18-3/h6H,4-5H2,1-3H3
InChI Key:
PVBAOOOIKJKIPW-UHFFFAOYSA-N
SMILES:
COC(=O)CCC1(OC(=O)C(=N1)C(C)C)C(F)(F)F
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.087g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.231g/mol
Monoisotopic Mass:
281.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties