2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine

C129H129Br3N16O7 — CID 159167096

About 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine

2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine (PubChem CID 159167096) has the molecular formula C129H129Br3N16O7 and a molecular weight of 2255.27 g/mol. Its IUPAC name is 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine.

Molecular Properties

• Compound Name: 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine
• PubChem CID: 159167096
• Molecular Formula: C129H129Br3N16O7
• Molecular Weight: 2255.27 g/mol
• Exact Mass: 2250.78
• IUPAC Name: 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine
• SMILES: Brc1ccc2[nH]c3c(c2c1)CCCC3c1ncc(-c2ccccc2)o1.COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3n1cccc1.COC(=O)c1ccn(C2CCCc3c2[nH]c2ccc(Br)cc32)c1.Cc1cnc(C2CCCc3c2[nH]c2ccc(Br)cc32)o1.c1ccc2c3c([nH]c2c1)C(n1cccc1)CCC3.c1ccn(C2CCCc3c2[nH]c2ccc(N4CCCC4)cc32)c1.c1ccn(C2CCCc3c2[nH]c2ccc(N4CCOCC4)cc32)c1
• InChI: InChI=1S/C21H17BrN2O.C20H23N3O.C20H23N3.C18H17BrN2O2.C18H18N2O2.C16H15BrN2O.C16H16N2/c22-14-9-10-18-17(11-14)15-7-4-8-16(20(15)24-18)21-23-12-19(25-21)13-5-2-1-3-6-13;1-2-9-23(8-1)19-5-3-4-16-17-14-15(22-10-12-24-13-11-22)6-7-18(17)21-20(16)19;1-2-11-22(10-1)15-8-9-18-17(14-15)16-6-5-7-19(20(16)21-18)23-12-3-4-13-23;1-23-18(22)11-7-8-21(10-11)16-4-2-3-13-14-9-12(19)5-6-15(14)20-17(13)16;1-22-18(21)12-7-8-15-14(11-12)13-5-4-6-16(17(13)19-15)20-9-2-3-10-20;1-9-8-18-16(20-9)12-4-2-3-11-13-7-10(17)5-6-14(13)19-15(11)12;1-2-8-14-12(6-1)13-7-5-9-15(16(13)17-14)18-10-3-4-11-18/h1-3,5-6,9-12,16,24H,4,7-8H2;1-2,6-9,14,19,21H,3-5,10-13H2;3-4,8-9,12-14,19,21H,1-2,5-7,10-11H2;5-10,16,20H,2-4H2,1H3;2-3,7-11,16,19H,4-6H2,1H3;5-8,12,19H,2-4H2,1H3;1-4,6,8,10-11,15,17H,5,7,9H2
• InChIKey: KLFBTUDCMKKOKT-UHFFFAOYSA-N
• XLogP: 31.00
• TPSA: 255.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2255.27
LogP ≤ 5	31.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine?

The IUPAC name of 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine (CID 159167096) is 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine.

What is the SMILES notation for 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine?

The canonical SMILES for 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine is Brc1ccc2[nH]c3c(c2c1)CCCC3c1ncc(-c2ccccc2)o1.COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3n1cccc1.COC(=O)c1ccn(C2CCCc3c2[nH]c2ccc(Br)cc32)c1.Cc1cnc(C2CCCc3c2[nH]c2ccc(Br)cc32)o1.c1ccc2c3c([nH]c2c1)C(n1cccc1)CCC3.c1ccn(C2CCCc3c2[nH]c2ccc(N4CCCC4)cc32)c1.c1ccn(C2CCCc3c2[nH]c2ccc(N4CCOCC4)cc32)c1.

What is the InChIKey of 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine?

The InChIKey is KLFBTUDCMKKOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O.C20H23N3O.C20H23N3.C18H17BrN2O2.C18H18N2O2.C16H15BrN2O.C16H16N2/c22-14-9-10-18-17(11-14)15-7-4-8-16(20(15)24-18)21-23-12-19(25-21)13-5-2-1-3-6-13;1-2-9-23(8-1)19-5-3-4-16-17-14-15(22-10-12-24-13-11-22)6-7-18(17)21-20(16)19;1-2-11-22(10-1)15-8-9-18-17(14-15)16-6-5-7-19(20(16)21-18)23-12-3-4-13-23;1-23-18(22)11-7-8-21(10-11)16-4-2-3-13-14-9-12(19)5-6-15(14)20-17(13)16;1-22-18(21)12-7-8-15-14(11-12)13-5-4-6-16(17(13)19-15)20-9-2-3-10-20;1-9-8-18-16(20-9)12-4-2-3-11-13-7-10(17)5-6-14(13)19-15(11)12;1-2-8-14-12(6-1)13-7-5-9-15(16(13)17-14)18-10-3-4-11-18/h1-3,5-6,9-12,16,24H,4,7-8H2;1-2,6-9,14,19,21H,3-5,10-13H2;3-4,8-9,12-14,19,21H,1-2,5-7,10-11H2;5-10,16,20H,2-4H2,1H3;2-3,7-11,16,19H,4-6H2,1H3;5-8,12,19H,2-4H2,1H3;1-4,6,8,10-11,15,17H,5,7,9H2.

What are the key properties of 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine?

2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine has a molecular weight of 2255.27 g/mol, XLogP of 31.00, 12 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-methyl-1,3-oxazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-5-phenyl-1,3-oxazole;methyl 1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrole-3-carboxylate;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;6-pyrrolidin-1-yl-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;4-(8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)morpholine is sourced from PubChem (CID 159167096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).