(3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one

C140H119FN32O15 — CID 158191261

About (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one

(3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one (PubChem CID 158191261) has the molecular formula C140H119FN32O15 and a molecular weight of 2508.70 g/mol. Its IUPAC name is (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one.

Molecular Properties

• Compound Name: (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
• PubChem CID: 158191261
• Molecular Formula: C140H119FN32O15
• Molecular Weight: 2508.70 g/mol
• Exact Mass: 2506.95
• IUPAC Name: (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
• SMILES: Cc1nc(N2CCOCC2)c(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)cc1C#N.N#Cc1ccc(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)c(N2CCOCC2)c1.N#Cc1cnc(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)c(N2CCOCC2)c1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ccc(F)cc2N2CCOCC2)o1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2cnc(N3CCOCC3)cn2)o1
• InChI: InChI=1S/C29H25N7O3.C29H24N6O3.C28H24FN5O3.C28H23N7O3.C26H23N7O3/c1-18-21(17-30)15-23(27(31-18)36-11-13-38-14-12-36)28-34-35-29(39-28)33-26-24(37)16-20-9-5-6-10-22(20)25(32-26)19-7-3-2-4-8-19;30-18-19-10-11-23(24(16-19)35-12-14-37-15-13-35)28-33-34-29(38-28)32-27-25(36)17-21-8-4-5-9-22(21)26(31-27)20-6-2-1-3-7-20;29-20-10-11-22(23(17-20)34-12-14-36-15-13-34)27-32-33-28(37-27)31-26-24(35)16-19-8-4-5-9-21(19)25(30-26)18-6-2-1-3-7-18;29-16-18-14-22(35-10-12-37-13-11-35)25(30-17-18)27-33-34-28(38-27)32-26-23(36)15-20-8-4-5-9-21(20)24(31-26)19-6-2-1-3-7-19;34-21-14-18-8-4-5-9-19(18)23(17-6-2-1-3-7-17)29-24(21)30-26-32-31-25(36-26)20-15-28-22(16-27-20)33-10-12-35-13-11-33/h2-10,15,26H,11-14,16H2,1H3,(H,33,35);1-11,16,27H,12-15,17H2,(H,32,34);1-11,17,26H,12-16H2,(H,31,33);1-9,14,17,26H,10-13,15H2,(H,32,34);1-9,15-16,24H,10-14H2,(H,30,32)/t26-;27-;2*26-;24-/m11111/s1
• InChIKey: FZTYJIOBKAOQGB-JHGSOHNHSA-N
• XLogP: 17.51
• TPSA: 587.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 47
• Rotatable Bonds: 25
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2508.70
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?

The IUPAC name of (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one (CID 158191261) is (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one.

What is the SMILES notation for (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?

The canonical SMILES for (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one is Cc1nc(N2CCOCC2)c(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)cc1C#N.N#Cc1ccc(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)c(N2CCOCC2)c1.N#Cc1cnc(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)c(N2CCOCC2)c1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ccc(F)cc2N2CCOCC2)o1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2cnc(N3CCOCC3)cn2)o1.

What is the InChIKey of (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?

The InChIKey is FZTYJIOBKAOQGB-JHGSOHNHSA-N. The full InChI is InChI=1S/C29H25N7O3.C29H24N6O3.C28H24FN5O3.C28H23N7O3.C26H23N7O3/c1-18-21(17-30)15-23(27(31-18)36-11-13-38-14-12-36)28-34-35-29(39-28)33-26-24(37)16-20-9-5-6-10-22(20)25(32-26)19-7-3-2-4-8-19;30-18-19-10-11-23(24(16-19)35-12-14-37-15-13-35)28-33-34-29(38-28)32-27-25(36)17-21-8-4-5-9-22(21)26(31-27)20-6-2-1-3-7-20;29-20-10-11-22(23(17-20)34-12-14-36-15-13-34)27-32-33-28(37-27)31-26-24(35)16-19-8-4-5-9-21(19)25(30-26)18-6-2-1-3-7-18;29-16-18-14-22(35-10-12-37-13-11-35)25(30-17-18)27-33-34-28(38-27)32-26-23(36)15-20-8-4-5-9-21(20)24(31-26)19-6-2-1-3-7-19;34-21-14-18-8-4-5-9-19(18)23(17-6-2-1-3-7-17)29-24(21)30-26-32-31-25(36-26)20-15-28-22(16-27-20)33-10-12-35-13-11-33/h2-10,15,26H,11-14,16H2,1H3,(H,33,35);1-11,16,27H,12-15,17H2,(H,32,34);1-11,17,26H,12-16H2,(H,31,33);1-9,14,17,26H,10-13,15H2,(H,32,34);1-9,15-16,24H,10-14H2,(H,30,32)/t26-;27-;2*26-;24-/m11111/s1.

What are the key properties of (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?

(3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one has a molecular weight of 2508.70 g/mol, XLogP of 17.51, 25 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[[5-(4-fluoro-2-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;2-methyl-6-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;3-morpholin-4-yl-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-(5-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 158191261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).