bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate

C97H84Br5Cl3N13O9P — CID 158916829

About bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate

bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 158916829) has the molecular formula C97H84Br5Cl3N13O9P and a molecular weight of 2112.67 g/mol. Its IUPAC name is bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

• Compound Name: bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
• PubChem CID: 158916829
• Molecular Formula: C97H84Br5Cl3N13O9P
• Molecular Weight: 2112.67 g/mol
• Exact Mass: 2105.12
• IUPAC Name: bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
• SMILES: COC(=O)c1ccc(/C=C/C2=NOC(C)(c3cc(C)cc(Cl)c3)C2)n2cncc12.COC(=O)c1ccc(Br)c2cncn12.Cc1cc(Cl)cc(C2(C)CC(/C=C/c3ccc(Br)c4cncn34)=NO2)c1.Cc1cc(Cl)cc(C2(C)CC(CP(Br)(c3ccccc3)(c3ccccc3)c3ccccc3)=NO2)c1.O=Cc1ccc(Br)c2cncn12.OCc1ccc(Br)c2cncn12
• InChI: InChI=1S/C30H28BrClNOP.C22H20ClN3O3.C20H17BrClN3O.C9H7BrN2O2.C8H7BrN2O.C8H5BrN2O/c1-23-18-24(20-25(32)19-23)30(2)21-26(33-34-30)22-35(31,27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29;1-14-8-15(10-16(23)9-14)22(2)11-17(25-29-22)4-5-18-6-7-19(21(27)28-3)20-12-24-13-26(18)20;1-13-7-14(9-15(22)8-13)20(2)10-16(24-26-20)3-4-17-5-6-18(21)19-11-23-12-25(17)19;1-14-9(13)7-3-2-6(10)8-4-11-5-12(7)8;2*9-7-2-1-6(4-12)11-5-10-3-8(7)11/h3-20H,21-22H2,1-2H3;4-10,12-13H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3;2-5H,1H3;1-3,5,12H,4H2;1-5H/b;5-4+;4-3+
• InChIKey: JHIHXYRSUDRDCI-XZGMSYHVSA-N
• XLogP: 23.41
• TPSA: 241.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2112.67
LogP ≤ 5	23.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?

The IUPAC name of bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate (CID 158916829) is bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate.

What is the SMILES notation for bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?

The canonical SMILES for bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate is COC(=O)c1ccc(/C=C/C2=NOC(C)(c3cc(C)cc(Cl)c3)C2)n2cncc12.COC(=O)c1ccc(Br)c2cncn12.Cc1cc(Cl)cc(C2(C)CC(/C=C/c3ccc(Br)c4cncn34)=NO2)c1.Cc1cc(Cl)cc(C2(C)CC(CP(Br)(c3ccccc3)(c3ccccc3)c3ccccc3)=NO2)c1.O=Cc1ccc(Br)c2cncn12.OCc1ccc(Br)c2cncn12.

What is the InChIKey of bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?

The InChIKey is JHIHXYRSUDRDCI-XZGMSYHVSA-N. The full InChI is InChI=1S/C30H28BrClNOP.C22H20ClN3O3.C20H17BrClN3O.C9H7BrN2O2.C8H7BrN2O.C8H5BrN2O/c1-23-18-24(20-25(32)19-23)30(2)21-26(33-34-30)22-35(31,27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29;1-14-8-15(10-16(23)9-14)22(2)11-17(25-29-22)4-5-18-6-7-19(21(27)28-3)20-12-24-13-26(18)20;1-13-7-14(9-15(22)8-13)20(2)10-16(24-26-20)3-4-17-5-6-18(21)19-11-23-12-25(17)19;1-14-9(13)7-3-2-6(10)8-4-11-5-12(7)8;2*9-7-2-1-6(4-12)11-5-10-3-8(7)11/h3-20H,21-22H2,1-2H3;4-10,12-13H,11H2,1-3H3;3-9,11-12H,10H2,1-2H3;2-5H,1H3;1-3,5,12H,4H2;1-5H/b;5-4+;4-3+;;;.

What are the key properties of bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate?

bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 2112.67 g/mol, XLogP of 23.41, 16 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bromo-[[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]methyl]-triphenyl-λ5-phosphane;8-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;3-[(E)-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethenyl]-5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazole;(8-bromoimidazo[1,5-a]pyridin-5-yl)methanol;methyl 8-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 158916829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).