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1217896-25-7 | Benzeneacetamide, α-methyl-4-[[4-(trifluoromethyl)-2-oxazolyl]amino]-, (αS)-
CAS No: 1217896-25-7 Catalog No: AG00160Y MDL No:
Product Description
Catalog Number:
AG00160Y
Chemical Name:
Benzeneacetamide, α-methyl-4-[[4-(trifluoromethyl)-2-oxazolyl]amino]-, (αS)-
CAS Number:
1217896-25-7
Molecular Formula:
C13H12F3N3O2
Molecular Weight:
299.2485
IUPAC Name:
(2S)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanamide
InChI:
InChI=1S/C13H12F3N3O2/c1-7(11(17)20)8-2-4-9(5-3-8)18-12-19-10(6-21-12)13(14,15)16/h2-7H,1H3,(H2,17,20)(H,18,19)/t7-/m0/s1
InChI Key:
LOHRBNWFZDNPBQ-ZETCQYMHSA-N
SMILES:
C[C@@H](c1ccc(cc1)Nc1occ(n1)C(F)(F)F)C(=O)N
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
299.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.253g/mol
Monoisotopic Mass:
299.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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