5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

C145H154BBrN22O19 — CID 159972163

About 5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 159972163) has the molecular formula C145H154BBrN22O19 and a molecular weight of 2599.68 g/mol. Its IUPAC name is 5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
• PubChem CID: 159972163
• Molecular Formula: C145H154BBrN22O19
• Molecular Weight: 2599.68 g/mol
• Exact Mass: 2597.10
• IUPAC Name: 5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
• SMILES: Brc1cnc(-c2ccccc2)o1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)o4)cc32)c1C.CN1CCNCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)o4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)o4)cc32)c(C)c1C(=O)O.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1Cc2cc(-c3cnc(-c4ccccc4)o3)ccc2N1
• InChI: InChI=1S/C31H33N5O3.C30H29N5O3.C25H19N3O4.C17H12N2O2.C14H18BNO3.C9H6BrNO.C8H9NO3.C6H16N2.C5H12N2/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(34-20(28)4)17-24-23-16-22(12-13-25(23)35-29(24)37)27-18-33-31(39-27)21-10-8-7-9-11-21;1-18-25(32-19(2)27(18)30(37)35-13-11-34(3)12-14-35)16-23-22-15-21(9-10-24(22)33-28(23)36)26-17-31-29(38-26)20-7-5-4-6-8-20;1-13-20(27-14(2)22(13)25(30)31)11-18-17-10-16(8-9-19(17)28-23(18)29)21-12-26-24(32-21)15-6-4-3-5-7-15;20-16-9-13-8-12(6-7-14(13)19-16)15-10-18-17(21-15)11-4-2-1-3-5-11;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;10-8-6-11-9(12-8)7-4-2-1-3-5-7;1-4-6(3-10)9-5(2)7(4)8(11)12;1-3-8(4-2)6-5-7;1-7-4-2-6-3-5-7/h7-13,16-18,34H,5-6,14-15H2,1-4H3,(H,32,38)(H,35,37);4-10,15-17,32H,11-14H2,1-3H3,(H,33,36);3-12,27H,1-2H3,(H,28,29)(H,30,31);1-8,10H,9H2,(H,19,20);5-7H,8H2,1-4H3,(H,16,17);1-6H;3,9H,1-2H3,(H,11,12);3-7H2,1-2H3;6H,2-5H2,1H3/b24-17-;23-16-;18-11-
• InChIKey: OERMEAILVFCOJQ-JRMBYOQOSA-N
• XLogP: 24.53
• TPSA: 549.36 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2599.68
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

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'}

Frequently Asked Questions

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

The IUPAC name of 5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (CID 159972163) is 5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.

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

The canonical SMILES for 5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is Brc1cnc(-c2ccccc2)o1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)o4)cc32)c1C.CN1CCNCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)o4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)o4)cc32)c(C)c1C(=O)O.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1Cc2cc(-c3cnc(-c4ccccc4)o3)ccc2N1.

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

The InChIKey is OERMEAILVFCOJQ-JRMBYOQOSA-N. The full InChI is InChI=1S/C31H33N5O3.C30H29N5O3.C25H19N3O4.C17H12N2O2.C14H18BNO3.C9H6BrNO.C8H9NO3.C6H16N2.C5H12N2/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(34-20(28)4)17-24-23-16-22(12-13-25(23)35-29(24)37)27-18-33-31(39-27)21-10-8-7-9-11-21;1-18-25(32-19(2)27(18)30(37)35-13-11-34(3)12-14-35)16-23-22-15-21(9-10-24(22)33-28(23)36)26-17-31-29(38-26)20-7-5-4-6-8-20;1-13-20(27-14(2)22(13)25(30)31)11-18-17-10-16(8-9-19(17)28-23(18)29)21-12-26-24(32-21)15-6-4-3-5-7-15;20-16-9-13-8-12(6-7-14(13)19-16)15-10-18-17(21-15)11-4-2-1-3-5-11;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;10-8-6-11-9(12-8)7-4-2-1-3-5-7;1-4-6(3-10)9-5(2)7(4)8(11)12;1-3-8(4-2)6-5-7;1-7-4-2-6-3-5-7/h7-13,16-18,34H,5-6,14-15H2,1-4H3,(H,32,38)(H,35,37);4-10,15-17,32H,11-14H2,1-3H3,(H,33,36);3-12,27H,1-2H3,(H,28,29)(H,30,31);1-8,10H,9H2,(H,19,20);5-7H,8H2,1-4H3,(H,16,17);1-6H;3,9H,1-2H3,(H,11,12);3-7H2,1-2H3;6H,2-5H2,1H3/b24-17-;23-16-;18-11-;;;;;;.

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

5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 2599.68 g/mol, XLogP of 24.53, 27 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 159972163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).