Auy922
5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
Molecular Identity
Auy922
5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID: 135545855
2D Structure
Properties
C27H33N3O5
Molecular Formula
479.60
Molecular Weight
g/mol
479.2420
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
687
Complexity
SMILES
Canonical SMILES
SMILES: CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)(C)CIsomeric SMILES
SMILES: CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)(C)CSynonyms(20)
747412-64-2AUY 922G1G66XE93W3-Isoxazolecarboxamide, 5-(5-(1,1-dimethylethyl)-2,4-dihydroxyphenyl)-N-ethyl-4-(4-(4-morpholinylmethyl)phenyl)-RefChem:9165285-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-(4-((morpholin-4-yl)methyl)phenyl)-1,2-oxazole-3-carboxamideAUY9225-(5-(tert-butyl)-2,4-dihydroxyphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide5-[5-(1,1-Dimethylethyl)-2,4-dihydroxyphenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamideUNII-G1G66XE93WLuminespib analogIsoxazole, 40gCHEMBL399583orb1740720
Data from PubChem (NCBI)
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