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

C58H53B2Cl5F2N6O9 — CID 158482654

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

5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]indolizine-8-carboxamide;5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methanamine;hydrochloride (PubChem CID 158482654) has the molecular formula C58H53B2Cl5F2N6O9 and a molecular weight of 1214.98 g/mol. Its IUPAC name is 5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]indolizine-8-carboxamide;5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methanamine;hydrochloride.

Molecular Properties

• Compound Name: 5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]indolizine-8-carboxamide;5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methanamine;hydrochloride
• PubChem CID: 158482654
• Molecular Formula: C58H53B2Cl5F2N6O9
• Molecular Weight: 1214.98 g/mol
• Exact Mass: 1212.25
• IUPAC Name: 5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]indolizine-8-carboxamide;5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methanamine;hydrochloride
• SMILES: CC1(C)OB(O)c2ccc(CN)cc21.CC1(C)OB(O)c2ccc(CNC(=O)c3ccc(C4=NOC(C)(c5cc(Cl)c(F)c(Cl)c5)C4)n4cccc34)cc21.CC1(c2cc(Cl)c(F)c(Cl)c2)CC(c2ccc(C(=O)O)c3cccn23)=NO1.Cl
• InChI: InChI=1S/C29H25BCl2FN3O4.C19H13Cl2FN2O3.C10H14BNO2.ClH/c1-28(2)19-11-16(6-8-20(19)30(38)39-28)15-34-27(37)18-7-9-25(36-10-4-5-24(18)36)23-14-29(3,40-35-23)17-12-21(31)26(33)22(32)13-17;1-19(10-7-12(20)17(22)13(21)8-10)9-14(23-27-19)16-5-4-11(18(25)26)15-3-2-6-24(15)16;1-10(2)8-5-7(6-12)3-4-9(8)11(13)14-10;/h4-13,38H,14-15H2,1-3H3,(H,34,37);2-8H,9H2,1H3,(H,25,26);3-5,13H,6,12H2,1-2H3;1H
• InChIKey: CXGCHUCFHAMZOP-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 203.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1214.98
LogP ≤ 5	10.95
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 5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]indolizine-8-carboxamide;5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methanamine;hydrochloride?

The IUPAC name of 5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]indolizine-8-carboxamide;5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methanamine;hydrochloride (CID 158482654) is 5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]indolizine-8-carboxamide;5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methanamine;hydrochloride.

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

The canonical SMILES for 5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]indolizine-8-carboxamide;5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methanamine;hydrochloride is CC1(C)OB(O)c2ccc(CN)cc21.CC1(C)OB(O)c2ccc(CNC(=O)c3ccc(C4=NOC(C)(c5cc(Cl)c(F)c(Cl)c5)C4)n4cccc34)cc21.CC1(c2cc(Cl)c(F)c(Cl)c2)CC(c2ccc(C(=O)O)c3cccn23)=NO1.Cl.

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

The InChIKey is CXGCHUCFHAMZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25BCl2FN3O4.C19H13Cl2FN2O3.C10H14BNO2.ClH/c1-28(2)19-11-16(6-8-20(19)30(38)39-28)15-34-27(37)18-7-9-25(36-10-4-5-24(18)36)23-14-29(3,40-35-23)17-12-21(31)26(33)22(32)13-17;1-19(10-7-12(20)17(22)13(21)8-10)9-14(23-27-19)16-5-4-11(18(25)26)15-3-2-6-24(15)16;1-10(2)8-5-7(6-12)3-4-9(8)11(13)14-10;/h4-13,38H,14-15H2,1-3H3,(H,34,37);2-8H,9H2,1H3,(H,25,26);3-5,13H,6,12H2,1-2H3;1H.

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

5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]indolizine-8-carboxamide;5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methanamine;hydrochloride has a molecular weight of 1214.98 g/mol, XLogP of 10.95, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]indolizine-8-carboxamide;5-[5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 158482654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).