4-({2-[(4-Chloro-3-{[(2S)-1-Methyl-2-Pyrrolidinyl]Methoxy}Phenyl)Amino]-1,3-Benzoxazol-5-Yl}Oxy)-N-Methyl-2-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C26H26ClN5O4
IUPAC Name 4-[[2-[4-chloro-3-[[(2s)-1-methylpyrrolidin-2-yl]methoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-n-methyl-pyridine-2-carboxamide
Molecular Mass 507.969 g·mol−1
Heat of Formation -200.6 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 573.4 Å 3
Surface Area 510.19 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[2-[[4-chloro-3-[[(2s)-1-methyl-2-pyrrolidinyl]methoxy]phenyl]amino]-1,3-benzoxazol-5-yl]oxy]-n-methyl-2-pyridinecarboxamide
  • 4-[[2-[[4-chloro-3-[[(2s)-1-methylpyrrolidin-2-yl]methoxy]phenyl]amino]-1,3-benzoxazol-5-yl]oxy]-n-methyl-picolinamide
  • 4-[[2-[[4-chloro-3-[[(2s)-1-methylpyrrolidin-2-yl]methoxy]phenyl]amino]-1,3-benzoxazol-5-yl]oxy]-n-methyl-pyridine-2-carboxamide
  • 4-[[2-[[4-chloro-3-[[(2s)-1-methylpyrrolidin-2-yl]methoxy]phenyl]amino]-1,3-benzoxazol-5-yl]oxy]-n-methylpyridine-2-carboxamide
InChIKey KMNCFOUKJYOZIF-KRWDZBQOSA-N
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