About 5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide
5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 162045616) has the molecular formula C152H160F4N32O26
and a molecular weight of 2927.14 g/mol. Its IUPAC name is 5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide (CID 162045616) is 5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide is CN1C(=O)C(NC(=O)c2cc(Cc3ccccc3)on2)COc2ccc(N3CCCOCC3)cc21.CN1C(=O)C(NC(=O)c2ncn(Cc3ccc(F)cc3)n2)COc2ccc(N3CCCOCC3)cc21.CN1C(=O)C(NC(=O)c2ncn(Cc3ccc(F)cc3)n2)COc2ccc(N3C[C@@H]4C[C@H]3CO4)cc21.CN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2ccc(N3CCCOCC3)cc21.CN1C(=O)[C@H](NC(=O)c2ncn(Cc3ccc(F)cc3)n2)COc2ccc(N3CCCOCC3)cc21.CN1C(=O)[C@H](NC(=O)c2ncn(Cc3ccc(F)cc3)n2)COc2ccc(N3C[C@@H]4C[C@H]3CO4)cc21.
What is the InChIKey of 5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is YXVQFWRMCXZVID-AKULOPTISA-N. The full InChI is InChI=1S/2C26H28N4O5.2C25H25FN6O4.2C25H27FN6O4/c2*1-29-23-15-19(30-10-5-12-33-13-11-30)8-9-24(23)34-17-22(26(29)32)27-25(31)21-16-20(35-28-21)14-18-6-3-2-4-7-18;2*1-30-21-9-17(32-11-19-8-18(32)12-35-19)6-7-22(21)36-13-20(25(30)34)28-24(33)23-27-14-31(29-23)10-15-2-4-16(26)5-3-15;2*1-30-21-13-19(31-9-2-11-35-12-10-31)7-8-22(21)36-15-20(25(30)34)28-24(33)23-27-16-32(29-23)14-17-3-5-18(26)6-4-17/h2*2-4,6-9,15-16,22H,5,10-14,17H2,1H3,(H,27,31);2*2-7,9,14,18-20H,8,10-13H2,1H3,(H,28,33);2*3-8,13,16,20H,2,9-12,14-15H2,1H3,(H,28,33)/t22-;;18-,19-,20?;18-,19-,20+;20-;/m1.001./s1.
What are the key properties of 5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide?
5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 2927.14 g/mol, XLogP of 12.18, 30 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[(3R)-5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide;1-[(4-fluorophenyl)methyl]-N-[5-methyl-7-(1,4-oxazepan-4-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 162045616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).