JT5NU1K4F2
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]acetamide
Molecular Identity
JT5NU1K4F2
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]acetamide
PubChem CID: 85470885
2D Structure
Properties
C19H14ClF3N4O3
Molecular Formula
438.80
Molecular Weight
g/mol
438.0707
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
78.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
682
Complexity
SMILES
Canonical SMILES
SMILES: CN(CC1=NC2=C(N1)C=C(C=C2)C(F)(F)F)C(=O)CN3C4=C(C=CC(=C4)Cl)OC3=OIsomeric SMILES
SMILES: CN(CC1=NC2=C(N1)C=C(C=C2)C(F)(F)F)C(=O)CN3C4=C(C=CC(=C4)Cl)OC3=OSynonyms(11)
ASP4345CHEMBL45586471632257-75-0JT5NU1K4F2SCHEMBL16176519YJODOMNPYLHYJK-UHFFFAOYSA-NASP-4345BDBM505184212-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]acetamide3(2H)-Benzoxazoleacetamide, 5-chloro-N-methyl-2-oxo-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-5-Chloro-N-methyl-2-oxo-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-3(2H)-benzoxazoleacetamide
Data from PubChem (NCBI)
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