5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

C133H151BBrN20O16+ — CID 162056495

About 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 162056495) has the molecular formula C133H151BBrN20O16+ and a molecular weight of 2376.51 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
• PubChem CID: 162056495
• Molecular Formula: C133H151BBrN20O16+
• Molecular Weight: 2376.51 g/mol
• Exact Mass: 2374.09
• IUPAC Name: 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
• SMILES: CC1(C)OB(c2ccc3c(c2)NC(=O)C3)OC1(C)C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4oc(-c5ccccc5)nc4C)ccc32)c1C.CC[N+](C)(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.Cc1[nH]c(C=O)c(C)c1C(=O)N1CCN(C)CC1.Cc1nc(-c2ccccc2)oc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)N2CCN(C)CC2)c1C.Cc1nc(-c2ccccc2)oc1-c1ccc2c(c1)NC(=O)C2.Cc1nc(-c2ccccc2)oc1Br
• InChI: InChI=1S/C32H35N5O3.C31H31N5O3.C18H14N2O2.C15H25N3O2.C14H18BNO3.C13H19N3O2.C10H8BrNO/c1-6-37(7-2)16-15-33-31(39)28-19(3)26(34-20(28)4)18-25-24-14-13-23(17-27(24)36-30(25)38)29-21(5)35-32(40-29)22-11-9-8-10-12-22;1-18-25(32-19(2)27(18)31(38)36-14-12-35(4)13-15-36)17-24-23-11-10-22(16-26(23)34-29(24)37)28-20(3)33-30(39-28)21-8-6-5-7-9-21;1-11-17(22-18(19-11)12-5-3-2-4-6-12)14-8-7-13-10-16(21)20-15(13)9-14;1-6-18(5,7-2)9-8-16-15(20)14-11(3)13(10-19)17-12(14)4;1-13(2)14(3,4)19-15(18-13)10-6-5-9-7-12(17)16-11(9)8-10;1-9-11(8-17)14-10(2)12(9)13(18)16-6-4-15(3)5-7-16;1-7-9(11)13-10(12-7)8-5-3-2-4-6-8/h8-14,17-18,34H,6-7,15-16H2,1-5H3,(H,33,39)(H,36,38);5-11,16-17,32H,12-15H2,1-4H3,(H,34,37);2-9H,10H2,1H3,(H,20,21);10H,6-9H2,1-5H3,(H-,16,17,19,20);5-6,8H,7H2,1-4H3,(H,16,17);8,14H,4-7H2,1-3H3;2-6H,1H3/p+1/b25-18-;24-17-
• InChIKey: MFUVAHBBBYLKHH-QDESCHFCSA-O
• XLogP: 22.16
• TPSA: 444.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2376.51
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?

The IUPAC name of 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (CID 162056495) is 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?

The canonical SMILES for 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is CC1(C)OB(c2ccc3c(c2)NC(=O)C3)OC1(C)C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4oc(-c5ccccc5)nc4C)ccc32)c1C.CC[N+](C)(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.Cc1[nH]c(C=O)c(C)c1C(=O)N1CCN(C)CC1.Cc1nc(-c2ccccc2)oc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)N2CCN(C)CC2)c1C.Cc1nc(-c2ccccc2)oc1-c1ccc2c(c1)NC(=O)C2.Cc1nc(-c2ccccc2)oc1Br.

What is the InChIKey of 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?

The InChIKey is MFUVAHBBBYLKHH-QDESCHFCSA-O. The full InChI is InChI=1S/C32H35N5O3.C31H31N5O3.C18H14N2O2.C15H25N3O2.C14H18BNO3.C13H19N3O2.C10H8BrNO/c1-6-37(7-2)16-15-33-31(39)28-19(3)26(34-20(28)4)18-25-24-14-13-23(17-27(24)36-30(25)38)29-21(5)35-32(40-29)22-11-9-8-10-12-22;1-18-25(32-19(2)27(18)31(38)36-14-12-35(4)13-15-36)17-24-23-11-10-22(16-26(23)34-29(24)37)28-20(3)33-30(39-28)21-8-6-5-7-9-21;1-11-17(22-18(19-11)12-5-3-2-4-6-12)14-8-7-13-10-16(21)20-15(13)9-14;1-6-18(5,7-2)9-8-16-15(20)14-11(3)13(10-19)17-12(14)4;1-13(2)14(3,4)19-15(18-13)10-6-5-9-7-12(17)16-11(9)8-10;1-9-11(8-17)14-10(2)12(9)13(18)16-6-4-15(3)5-7-16;1-7-9(11)13-10(12-7)8-5-3-2-4-6-8/h8-14,17-18,34H,6-7,15-16H2,1-5H3,(H,33,39)(H,36,38);5-11,16-17,32H,12-15H2,1-4H3,(H,34,37);2-9H,10H2,1H3,(H,20,21);10H,6-9H2,1-5H3,(H-,16,17,19,20);5-6,8H,7H2,1-4H3,(H,16,17);8,14H,4-7H2,1-3H3;2-6H,1H3/p+1/b25-18-;24-17-;;;;;.

What are the key properties of 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?

5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 2376.51 g/mol, XLogP of 22.16, 26 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 162056495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).