5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride

C60H59B2Cl5N6O9 — CID 157127493

About 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride

5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride (PubChem CID 157127493) has the molecular formula C60H59B2Cl5N6O9 and a molecular weight of 1207.05 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride.

Molecular Properties

• Compound Name: 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride
• PubChem CID: 157127493
• Molecular Formula: C60H59B2Cl5N6O9
• Molecular Weight: 1207.05 g/mol
• Exact Mass: 1204.30
• IUPAC Name: 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride
• SMILES: CC1(C)OB(O)c2cc(CCN)ccc21.CC1(C)OB(O)c2cc(CCNC(=O)c3ccc(C4=NOC(C)(c5cc(Cl)cc(Cl)c5)C4)n4cccc34)ccc21.CC1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(C(=O)O)c3cccn23)=NO1.Cl
• InChI: InChI=1S/C30H28BCl2N3O4.C19H14Cl2N2O3.C11H16BNO2.ClH/c1-29(2)23-8-6-18(13-24(23)31(38)39-29)10-11-34-28(37)22-7-9-27(36-12-4-5-26(22)36)25-17-30(3,40-35-25)19-14-20(32)16-21(33)15-19;1-19(11-7-12(20)9-13(21)8-11)10-15(22-26-19)17-5-4-14(18(24)25)16-3-2-6-23(16)17;1-11(2)9-4-3-8(5-6-13)7-10(9)12(14)15-11;/h4-9,12-16,38H,10-11,17H2,1-3H3,(H,34,37);2-9H,10H2,1H3,(H,24,25);3-4,7,14H,5-6,13H2,1-2H3;1H
• InChIKey: UNKQUAPOYALNDY-UHFFFAOYSA-N
• XLogP: 10.76
• TPSA: 203.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1207.05
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride?

The IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride (CID 157127493) is 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride.

What is the SMILES notation for 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride?

The canonical SMILES for 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride is CC1(C)OB(O)c2cc(CCN)ccc21.CC1(C)OB(O)c2cc(CCNC(=O)c3ccc(C4=NOC(C)(c5cc(Cl)cc(Cl)c5)C4)n4cccc34)ccc21.CC1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(C(=O)O)c3cccn23)=NO1.Cl.

What is the InChIKey of 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride?

The InChIKey is UNKQUAPOYALNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BCl2N3O4.C19H14Cl2N2O3.C11H16BNO2.ClH/c1-29(2)23-8-6-18(13-24(23)31(38)39-29)10-11-34-28(37)22-7-9-27(36-12-4-5-26(22)36)25-17-30(3,40-35-25)19-14-20(32)16-21(33)15-19;1-19(11-7-12(20)9-13(21)8-11)10-15(22-26-19)17-5-4-14(18(24)25)16-3-2-6-23(16)17;1-11(2)9-4-3-8(5-6-13)7-10(9)12(14)15-11;/h4-9,12-16,38H,10-11,17H2,1-3H3,(H,34,37);2-9H,10H2,1H3,(H,24,25);3-4,7,14H,5-6,13H2,1-2H3;1H.

What are the key properties of 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride?

5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride has a molecular weight of 1207.05 g/mol, XLogP of 10.76, 11 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-8-carboxamide;5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride is sourced from PubChem (CID 157127493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).