5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole

C116H88BrClIN21O7 — CID 157428144

IUPAC5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
SMILESBrc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.C[C@H]1N=C(c2ccccc2)c2cc(C3CC3)ccc2-n2cnc(-c3cnco3)c21.Clc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.Ic1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.O=[N+]([O-])c1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21
InChIInChI=1S/C24H20N4O.C23H17BrN4O.C23H17ClN4O.C23H17IN4O.C23H17N5O3/c1-15-24-23(21-12-25-14-29-21)26-13-28(24)20-10-9-18(16-7-8-16)11-19(20)22(27-15)17-5-3-2-4-6-17;3*24-18-4-2-1-3-16(18)22-17-9-15(14-5-6-14)7-8-19(17)28-12-27-23(20(28)10-26-22)21-11-25-13-29-21;29-28(30)19-4-2-1-3-16(19)22-17-9-15(14-5-6-14)7-8-18(17)27-12-26-23(20(27)10-25-22)21-11-24-13-31-21/h2-6,9-16H,7-8H2,1H3;3*1-4,7-9,11-14H,5-6,10H2;1-4,7-9,11-14H,5-6,10H2/t15-;;;;/m1..../s1
InChIKeyBQEZWEDGBPOWFS-FKOXPEIHSA-N
MW2130.38 g/mol
LogP26.27
Rot. Bonds16

About 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole

5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole (PubChem CID 157428144) has the molecular formula C116H88BrClIN21O7 and a molecular weight of 2130.38 g/mol. Its IUPAC name is 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
PubChem CID157428144
Molecular FormulaC116H88BrClIN21O7
Molecular Weight2130.38 g/mol
Exact Mass2127.51
IUPAC Name5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
SMILESBrc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.C[C@H]1N=C(c2ccccc2)c2cc(C3CC3)ccc2-n2cnc(-c3cnco3)c21.Clc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.Ic1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.O=[N+]([O-])c1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21
InChIInChI=1S/C24H20N4O.C23H17BrN4O.C23H17ClN4O.C23H17IN4O.C23H17N5O3/c1-15-24-23(21-12-25-14-29-21)26-13-28(24)20-10-9-18(16-7-8-16)11-19(20)22(27-15)17-5-3-2-4-6-17;3*24-18-4-2-1-3-16(18)22-17-9-15(14-5-6-14)7-8-19(17)28-12-27-23(20(28)10-26-22)21-11-25-13-29-21;29-28(30)19-4-2-1-3-16(19)22-17-9-15(14-5-6-14)7-8-18(17)27-12-26-23(20(27)10-25-22)21-11-24-13-31-21/h2-6,9-16H,7-8H2,1H3;3*1-4,7-9,11-14H,5-6,10H2;1-4,7-9,11-14H,5-6,10H2/t15-;;;;/m1..../s1
InChIKeyBQEZWEDGBPOWFS-FKOXPEIHSA-N
XLogP26.27
TPSA324.19 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.38
LogP ≤ 526.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole (CID 157428144) is 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole is Brc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.C[C@H]1N=C(c2ccccc2)c2cc(C3CC3)ccc2-n2cnc(-c3cnco3)c21.Clc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.Ic1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.O=[N+]([O-])c1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.
What is the InChIKey of 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The InChIKey is BQEZWEDGBPOWFS-FKOXPEIHSA-N. The full InChI is InChI=1S/C24H20N4O.C23H17BrN4O.C23H17ClN4O.C23H17IN4O.C23H17N5O3/c1-15-24-23(21-12-25-14-29-21)26-13-28(24)20-10-9-18(16-7-8-16)11-19(20)22(27-15)17-5-3-2-4-6-17;3*24-18-4-2-1-3-16(18)22-17-9-15(14-5-6-14)7-8-19(17)28-12-27-23(20(28)10-26-22)21-11-25-13-29-21;29-28(30)19-4-2-1-3-16(19)22-17-9-15(14-5-6-14)7-8-18(17)27-12-26-23(20(27)10-25-22)21-11-24-13-31-21/h2-6,9-16H,7-8H2,1H3;3*1-4,7-9,11-14H,5-6,10H2;1-4,7-9,11-14H,5-6,10H2/t15-;;;;/m1..../s1.
What are the key properties of 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole has a molecular weight of 2130.38 g/mol, XLogP of 26.27, 16 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-bromophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[6-(2-chlorophenyl)-8-cyclopropyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[(4R)-8-cyclopropyl-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-cyclopropyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole is sourced from PubChem (CID 157428144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).