(2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C135H131N21O15S — CID 158166061

About (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

(2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 158166061) has the molecular formula C135H131N21O15S and a molecular weight of 2319.73 g/mol. Its IUPAC name is (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

• Compound Name: (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
• PubChem CID: 158166061
• Molecular Formula: C135H131N21O15S
• Molecular Weight: 2319.73 g/mol
• Exact Mass: 2317.99
• IUPAC Name: (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
• SMILES: CC(=O)Nc1cccc(/C=C/c2cccc3c2N[C@H](C)CC(=O)N3)c1.CCOc1cccc(NC(=O)c2cccc3c2N[C@H](C)CC(=O)N3)c1.C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4s3)c2O1.C[C@@H]1CC(=O)Nc2cccc(-c3cnc4c(c3)c(C3CC3)nn4C)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3cnc4ccccc4c3)c2O1.C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(-c4cnco4)c3)c2N1.Cc1c(-c2cccc3c2O[C@H](C)CC(=O)N3)ccc2c1cnn2C
• InChI: InChI=1S/C20H21N5O.C20H18N4O3.C20H21N3O2.C19H21N3O3.C19H19N3O2.C19H16N2O2.C18H15NO2S/c1-11-8-17(26)23-16-5-3-4-14(19(16)22-11)13-9-15-18(12-6-7-12)24-25(2)20(15)21-10-13;1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17;1-13-11-19(25)23-18-8-4-6-16(20(18)21-13)10-9-15-5-3-7-17(12-15)22-14(2)24;1-3-25-14-7-4-6-13(11-14)21-19(24)15-8-5-9-16-18(15)20-12(2)10-17(23)22-16;1-11-9-18(23)21-16-6-4-5-14(19(16)24-11)13-7-8-17-15(12(13)2)10-20-22(17)3;1-12-9-18(22)21-17-8-4-6-15(19(17)23-12)14-10-13-5-2-3-7-16(13)20-11-14;1-11-9-17(20)19-14-7-4-6-13(18(14)21-11)16-10-12-5-2-3-8-15(12)22-16/h3-5,9-12,22H,6-8H2,1-2H3,(H,23,26);2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25);3-10,12-13,21H,11H2,1-2H3,(H,22,24)(H,23,25);4-9,11-12,20H,3,10H2,1-2H3,(H,21,24)(H,22,23);4-8,10-11H,9H2,1-3H3,(H,21,23);2-8,10-12H,9H2,1H3,(H,21,22);2-8,10-11H,9H2,1H3,(H,19,20)/b;;10-9+;;;;/t11-;12-;13-;12-;11-;12-;11-/m1111111/s1
• InChIKey: FWVXIEBIWIEHAX-TWQUHVGPSA-N
• XLogP: 27.18
• TPSA: 463.49 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2319.73
LogP ≤ 5	27.18
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?

The IUPAC name of (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 158166061) is (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

What is the SMILES notation for (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?

The canonical SMILES for (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is CC(=O)Nc1cccc(/C=C/c2cccc3c2N[C@H](C)CC(=O)N3)c1.CCOc1cccc(NC(=O)c2cccc3c2N[C@H](C)CC(=O)N3)c1.C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4s3)c2O1.C[C@@H]1CC(=O)Nc2cccc(-c3cnc4c(c3)c(C3CC3)nn4C)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3cnc4ccccc4c3)c2O1.C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(-c4cnco4)c3)c2N1.Cc1c(-c2cccc3c2O[C@H](C)CC(=O)N3)ccc2c1cnn2C.

What is the InChIKey of (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?

The InChIKey is FWVXIEBIWIEHAX-TWQUHVGPSA-N. The full InChI is InChI=1S/C20H21N5O.C20H18N4O3.C20H21N3O2.C19H21N3O3.C19H19N3O2.C19H16N2O2.C18H15NO2S/c1-11-8-17(26)23-16-5-3-4-14(19(16)22-11)13-9-15-18(12-6-7-12)24-25(2)20(15)21-10-13;1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17;1-13-11-19(25)23-18-8-4-6-16(20(18)21-13)10-9-15-5-3-7-17(12-15)22-14(2)24;1-3-25-14-7-4-6-13(11-14)21-19(24)15-8-5-9-16-18(15)20-12(2)10-17(23)22-16;1-11-9-18(23)21-16-6-4-5-14(19(16)24-11)13-7-8-17-15(12(13)2)10-20-22(17)3;1-12-9-18(22)21-17-8-4-6-15(19(17)23-12)14-10-13-5-2-3-7-16(13)20-11-14;1-11-9-17(20)19-14-7-4-6-13(18(14)21-11)16-10-12-5-2-3-8-15(12)22-16/h3-5,9-12,22H,6-8H2,1-2H3,(H,23,26);2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25);3-10,12-13,21H,11H2,1-2H3,(H,22,24)(H,23,25);4-9,11-12,20H,3,10H2,1-2H3,(H,21,24)(H,22,23);4-8,10-11H,9H2,1-3H3,(H,21,23);2-8,10-12H,9H2,1H3,(H,21,22);2-8,10-11H,9H2,1H3,(H,19,20)/b;;10-9+;;;;/t11-;12-;13-;12-;11-;12-;11-/m1111111/s1.

What are the key properties of (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?

(2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 2319.73 g/mol, XLogP of 27.18, 15 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-9-(1-benzothiophen-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-(1,4-dimethylindazol-5-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(2R)-2-methyl-9-quinolin-3-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 158166061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).