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

C60H57B2Cl5F2N6O9 — CID 158403294

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

8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-5-carboxamide;8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride (PubChem CID 158403294) has the molecular formula C60H57B2Cl5F2N6O9 and a molecular weight of 1243.03 g/mol. Its IUPAC name is 8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-5-carboxamide;8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride.

Molecular Properties

• Compound Name: 8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-5-carboxamide;8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride
• PubChem CID: 158403294
• Molecular Formula: C60H57B2Cl5F2N6O9
• Molecular Weight: 1243.03 g/mol
• Exact Mass: 1240.28
• IUPAC Name: 8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-5-carboxamide;8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-5-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)c(F)c(Cl)c5)C4)c4cccn34)ccc21.CC1(c2cc(Cl)c(F)c(Cl)c2)CC(c2ccc(C(=O)O)n3cccc23)=NO1.Cl
• InChI: InChI=1S/C30H27BCl2FN3O4.C19H13Cl2FN2O3.C11H16BNO2.ClH/c1-29(2)20-8-6-17(13-21(20)31(39)40-29)10-11-35-28(38)26-9-7-19(25-5-4-12-37(25)26)24-16-30(3,41-36-24)18-14-22(32)27(34)23(33)15-18;1-19(10-7-12(20)17(22)13(21)8-10)9-14(23-27-19)11-4-5-16(18(25)26)24-6-2-3-15(11)24;1-11(2)9-4-3-8(5-6-13)7-10(9)12(14)15-11;/h4-9,12-15,39H,10-11,16H2,1-3H3,(H,35,38);2-8H,9H2,1H3,(H,25,26);3-4,7,14H,5-6,13H2,1-2H3;1H
• InChIKey: KSEYDVBGJDNGFF-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 203.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1243.03
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-5-carboxamide;8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride (CID 158403294) is 8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-5-carboxamide;8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride.

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

The canonical SMILES for 8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-5-carboxamide;8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-5-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)c(F)c(Cl)c5)C4)c4cccn34)ccc21.CC1(c2cc(Cl)c(F)c(Cl)c2)CC(c2ccc(C(=O)O)n3cccc23)=NO1.Cl.

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

The InChIKey is KSEYDVBGJDNGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27BCl2FN3O4.C19H13Cl2FN2O3.C11H16BNO2.ClH/c1-29(2)20-8-6-17(13-21(20)31(39)40-29)10-11-35-28(38)26-9-7-19(25-5-4-12-37(25)26)24-16-30(3,41-36-24)18-14-22(32)27(34)23(33)15-18;1-19(10-7-12(20)17(22)13(21)8-10)9-14(23-27-19)11-4-5-16(18(25)26)24-6-2-3-15(11)24;1-11(2)9-4-3-8(5-6-13)7-10(9)12(14)15-11;/h4-9,12-15,39H,10-11,16H2,1-3H3,(H,35,38);2-8H,9H2,1H3,(H,25,26);3-4,7,14H,5-6,13H2,1-2H3;1H.

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

8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-5-carboxamide;8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride has a molecular weight of 1243.03 g/mol, XLogP of 11.04, 11 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethyl]indolizine-5-carboxamide;8-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;2-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)ethanamine;hydrochloride is sourced from PubChem (CID 158403294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).