Delamanid
(2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
Molecular Identity
Delamanid
(2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID: 6480466
Delamanid is a member of piperidines.
2D Structure
Properties
C25H25F3N4O6
Molecular Formula
534.50
Molecular Weight
g/mol
534.1726
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
104
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
11
H-Bond Acceptors
795
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Delamanid681492-22-8OPC-67683deltybaOPC 676838OOT6M1PC7OPC67683DTXSID60218326Imidazo(2,1-b)oxazole, 2,3-dihydro-2-methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)-1-piperidinyl)phenoxy)methyl)-, (2R)-(2R)-2-METHYL-6-NITRO-2-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)PIPERIDIN-1-YL)PHENOXY)METHYL)-2,3-DIHYDROIMIDAZO(2,1-B)(1,3)OXAZOLE1-(4-{[(2R)-2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy}phenyl)-4-[4-(trifluoromethoxy)phenoxy]piperidinedelamanidum(2R)-2-Methyl-6-nitro-2-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole1-(4-(((2R)-2-methyl-6-nitro-2H,3H-imidazo(2,1-b)(1,3)oxazol-2-yl)methoxy)phenyl)-4-(4-(trifluoromethoxy)phenoxy)piperidineRefChem:585666
Data from PubChem (NCBI)
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Drug Network
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