5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide

C150H141ClF4N28O18 — CID 160612223

IUPAC5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)C2CN(Cc3ccccc3)C2)COc2ccccc21.CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2c(Cl)cccc21.CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)[C@@H](F)Cc2ccccc21.CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)[C@H](F)Cc2ccccc21.CN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)[C@@H](F)Cc2ccccc21.CN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)[C@H](F)Cc2ccccc21.O=C(N[C@H]1CCc2ccccc2-n2ccnc21)c1cc(Cc2ccccc2)on1
InChIInChI=1S/C23H20N4O2.2C22H20FN3O3.2C21H20FN5O2.C21H23N3O3.C20H18ClN5O3/c28-23(20-15-18(29-26-20)14-16-6-2-1-3-7-16)25-19-11-10-17-8-4-5-9-21(17)27-13-12-24-22(19)27;2*1-26-19-10-6-5-9-15(19)12-17(23)20(22(26)28)24-21(27)18-13-16(29-25-18)11-14-7-3-2-4-8-14;2*1-27-16-10-6-5-9-14(16)12-15(22)18(21(27)29)24-20(28)19-23-17(25-26-19)11-13-7-3-2-4-8-13;1-23-18-9-5-6-10-19(18)27-14-17(21(23)26)22-20(25)16-12-24(13-16)11-15-7-3-2-4-8-15;1-26-15-9-5-8-13(21)17(15)29-11-14(20(26)28)22-19(27)18-23-16(24-25-18)10-12-6-3-2-4-7-12/h1-9,12-13,15,19H,10-11,14H2,(H,25,28);2*2-10,13,17,20H,11-12H2,1H3,(H,24,27);2*2-10,15,18H,11-12H2,1H3,(H,24,28)(H,23,25,26);2-10,16-17H,11-14H2,1H3,(H,22,25);2-9,14H,10-11H2,1H3,(H,22,27)(H,23,24,25)/t19-;17-,20+;17-,20-;15-,18+;15-,18-;17-;14-/m0011000/s1
InChIKeyRFQDHWYAEMRZHH-NKEBMYQFSA-N
MW2735.40 g/mol
LogP17.67
Rot. Bonds28

About 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide

5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide (PubChem CID 160612223) has the molecular formula C150H141ClF4N28O18 and a molecular weight of 2735.40 g/mol. Its IUPAC name is 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide
PubChem CID160612223
Molecular FormulaC150H141ClF4N28O18
Molecular Weight2735.40 g/mol
Exact Mass2733.06
IUPAC Name5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)C2CN(Cc3ccccc3)C2)COc2ccccc21.CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2c(Cl)cccc21.CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)[C@@H](F)Cc2ccccc21.CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)[C@H](F)Cc2ccccc21.CN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)[C@@H](F)Cc2ccccc21.CN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)[C@H](F)Cc2ccccc21.O=C(N[C@H]1CCc2ccccc2-n2ccnc21)c1cc(Cc2ccccc2)on1
InChIInChI=1S/C23H20N4O2.2C22H20FN3O3.2C21H20FN5O2.C21H23N3O3.C20H18ClN5O3/c28-23(20-15-18(29-26-20)14-16-6-2-1-3-7-16)25-19-11-10-17-8-4-5-9-21(17)27-13-12-24-22(19)27;2*1-26-19-10-6-5-9-15(19)12-17(23)20(22(26)28)24-21(27)18-13-16(29-25-18)11-14-7-3-2-4-8-14;2*1-27-16-10-6-5-9-14(16)12-15(22)18(21(27)29)24-20(28)19-23-17(25-26-19)11-13-7-3-2-4-8-13;1-23-18-9-5-6-10-19(18)27-14-17(21(23)26)22-20(25)16-12-24(13-16)11-15-7-3-2-4-8-15;1-26-15-9-5-8-13(21)17(15)29-11-14(20(26)28)22-19(27)18-23-16(24-25-18)10-12-6-3-2-4-7-12/h1-9,12-13,15,19H,10-11,14H2,(H,25,28);2*2-10,13,17,20H,11-12H2,1H3,(H,24,27);2*2-10,15,18H,11-12H2,1H3,(H,24,28)(H,23,25,26);2-10,16-17H,11-14H2,1H3,(H,22,25);2-9,14H,10-11H2,1H3,(H,22,27)(H,23,24,25)/t19-;17-,20+;17-,20-;15-,18+;15-,18-;17-;14-/m0011000/s1
InChIKeyRFQDHWYAEMRZHH-NKEBMYQFSA-N
XLogP17.67
TPSA567.88 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002735.40
LogP ≤ 517.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-benzyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide;methoxycyclopentane
CID 122456186
5-benzyl-N-(8-cyclopropyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide
CID 118557479
5-benzyl-N-[(3R)-7-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 153276717
5-benzyl-N-[7-(3-hydroxy-3-methylbutyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 146226050
5-benzyl-N-[(3S)-7-(3-hydroxypropyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 146225875
5-benzyl-N-[(3S)-5-methyl-4-oxo-8-prop-1-en-2-yl-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 155678118
5-benzyl-N-[(4S)-9-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1H-1,2,4-triazole-3-carboxamide
CID 162696662
5-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 130340606
5-benzyl-N-[(3S)-7-(4-hydroxybutyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 146225850
5-benzyl-N-[(3S)-5-methyl-7-[3-(methylamino)prop-1-ynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 166874254
5-(2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide
CID 174232330
5-benzyl-N-[(3S)-6-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557299

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide?
The IUPAC name of 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide (CID 160612223) is 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide is CN1C(=O)[C@@H](NC(=O)C2CN(Cc3ccccc3)C2)COc2ccccc21.CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2c(Cl)cccc21.CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)[C@@H](F)Cc2ccccc21.CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)[C@H](F)Cc2ccccc21.CN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)[C@@H](F)Cc2ccccc21.CN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)[C@H](F)Cc2ccccc21.O=C(N[C@H]1CCc2ccccc2-n2ccnc21)c1cc(Cc2ccccc2)on1.
What is the InChIKey of 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide?
The InChIKey is RFQDHWYAEMRZHH-NKEBMYQFSA-N. The full InChI is InChI=1S/C23H20N4O2.2C22H20FN3O3.2C21H20FN5O2.C21H23N3O3.C20H18ClN5O3/c28-23(20-15-18(29-26-20)14-16-6-2-1-3-7-16)25-19-11-10-17-8-4-5-9-21(17)27-13-12-24-22(19)27;2*1-26-19-10-6-5-9-15(19)12-17(23)20(22(26)28)24-21(27)18-13-16(29-25-18)11-14-7-3-2-4-8-14;2*1-27-16-10-6-5-9-14(16)12-15(22)18(21(27)29)24-20(28)19-23-17(25-26-19)11-13-7-3-2-4-8-13;1-23-18-9-5-6-10-19(18)27-14-17(21(23)26)22-20(25)16-12-24(13-16)11-15-7-3-2-4-8-15;1-26-15-9-5-8-13(21)17(15)29-11-14(20(26)28)22-19(27)18-23-16(24-25-18)10-12-6-3-2-4-7-12/h1-9,12-13,15,19H,10-11,14H2,(H,25,28);2*2-10,13,17,20H,11-12H2,1H3,(H,24,27);2*2-10,15,18H,11-12H2,1H3,(H,24,28)(H,23,25,26);2-10,16-17H,11-14H2,1H3,(H,22,25);2-9,14H,10-11H2,1H3,(H,22,27)(H,23,24,25)/t19-;17-,20+;17-,20-;15-,18+;15-,18-;17-;14-/m0011000/s1.
What are the key properties of 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide?
5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide has a molecular weight of 2735.40 g/mol, XLogP of 17.67, 28 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(3S)-9-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(4S)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide;5-benzyl-N-[(3R,4S)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R,4R)-4-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]azetidine-3-carboxamide is sourced from PubChem (CID 160612223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).