2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride

C109H95B3BrCl16F3N10O17 — CID 172918967

About 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride

2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride (PubChem CID 172918967) has the molecular formula C109H95B3BrCl16F3N10O17 and a molecular weight of 2553.59 g/mol. Its IUPAC name is 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride.

Molecular Properties

• Compound Name: 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride
• PubChem CID: 172918967
• Molecular Formula: C109H95B3BrCl16F3N10O17
• Molecular Weight: 2553.59 g/mol
• Exact Mass: 2544.13
• IUPAC Name: 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride
• SMILES: C=C(C)Br.C=C(c1cc(Cl)c(Cl)c(Cl)c1)C(F)(F)F.CC1(C)OB(O)c2cc(CN)ccc21.CC1(C)OB(O)c2cc(CNC(=O)c3ccc(C4=NOC(C)(c5cc(Cl)c(Cl)c(Cl)c5)C4)c4cccn34)ccc21.CC1(c2cc(Cl)c(Cl)c(Cl)c2)CC(c2ccc(C(=O)O)n3cccc23)=NO1.CCOC(=O)c1ccc(/C=N/O)c2cccn12.CCOC(=O)c1ccc(C2=NOC(C)(c3cc(Cl)c(Cl)c(Cl)c3)C2)c2cccn12.Cl.OB(O)c1cc(Cl)c(Cl)c(Cl)c1
• InChI: InChI=1S/C29H25BCl3N3O4.C21H17Cl3N2O3.C19H13Cl3N2O3.C12H12N2O3.C10H14BNO2.C9H4Cl3F3.C6H4BCl3O2.C3H5Br.ClH/c1-28(2)19-8-6-16(11-20(19)30(38)39-28)15-34-27(37)25-9-7-18(24-5-4-10-36(24)25)23-14-29(3,40-35-23)17-12-21(31)26(33)22(32)13-17;1-3-28-20(27)18-7-6-13(17-5-4-8-26(17)18)16-11-21(2,29-25-16)12-9-14(22)19(24)15(23)10-12;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;1-2-17-12(15)11-6-5-9(8-13-16)10-4-3-7-14(10)11;1-10(2)8-4-3-7(6-12)5-9(8)11(13)14-10;1-4(9(13,14)15)5-2-6(10)8(12)7(11)3-5;8-4-1-3(7(11)12)2-5(9)6(4)10;1-3(2)4;/h4-13,38H,14-15H2,1-3H3,(H,34,37);4-10H,3,11H2,1-2H3;2-8H,9H2,1H3,(H,25,26);3-8,16H,2H2,1H3;3-5,13H,6,12H2,1-2H3;2-3H,1H2;1-2,11-12H;1H2,2H3;1H/b;;;13-8+
• InChIKey: NWFPVMUUHBBXOA-FXRISQPGSA-N
• XLogP: 28.48
• TPSA: 359.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2553.59
LogP ≤ 5	28.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride?

The IUPAC name of 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride (CID 172918967) is 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride.

What is the SMILES notation for 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride?

The canonical SMILES for 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride is C=C(C)Br.C=C(c1cc(Cl)c(Cl)c(Cl)c1)C(F)(F)F.CC1(C)OB(O)c2cc(CN)ccc21.CC1(C)OB(O)c2cc(CNC(=O)c3ccc(C4=NOC(C)(c5cc(Cl)c(Cl)c(Cl)c5)C4)c4cccn34)ccc21.CC1(c2cc(Cl)c(Cl)c(Cl)c2)CC(c2ccc(C(=O)O)n3cccc23)=NO1.CCOC(=O)c1ccc(/C=N/O)c2cccn12.CCOC(=O)c1ccc(C2=NOC(C)(c3cc(Cl)c(Cl)c(Cl)c3)C2)c2cccn12.Cl.OB(O)c1cc(Cl)c(Cl)c(Cl)c1.

What is the InChIKey of 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride?

The InChIKey is NWFPVMUUHBBXOA-FXRISQPGSA-N. The full InChI is InChI=1S/C29H25BCl3N3O4.C21H17Cl3N2O3.C19H13Cl3N2O3.C12H12N2O3.C10H14BNO2.C9H4Cl3F3.C6H4BCl3O2.C3H5Br.ClH/c1-28(2)19-8-6-16(11-20(19)30(38)39-28)15-34-27(37)25-9-7-18(24-5-4-10-36(24)25)23-14-29(3,40-35-23)17-12-21(31)26(33)22(32)13-17;1-3-28-20(27)18-7-6-13(17-5-4-8-26(17)18)16-11-21(2,29-25-16)12-9-14(22)19(24)15(23)10-12;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;1-2-17-12(15)11-6-5-9(8-13-16)10-4-3-7-14(10)11;1-10(2)8-4-3-7(6-12)5-9(8)11(13)14-10;1-4(9(13,14)15)5-2-6(10)8(12)7(11)3-5;8-4-1-3(7(11)12)2-5(9)6(4)10;1-3(2)4;/h4-13,38H,14-15H2,1-3H3,(H,34,37);4-10H,3,11H2,1-2H3;2-8H,9H2,1H3,(H,25,26);3-8,16H,2H2,1H3;3-5,13H,6,12H2,1-2H3;2-3H,1H2;1-2,11-12H;1H2,2H3;1H/b;;;13-8+;;;;;.

What are the key properties of 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride?

2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride has a molecular weight of 2553.59 g/mol, XLogP of 28.48, 18 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoprop-1-ene;ethyl 8-[(E)-hydroxyiminomethyl]indolizine-5-carboxylate;ethyl 8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylate;(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine;N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methyl]-8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxamide;8-[5-methyl-5-(3,4,5-trichlorophenyl)-4H-1,2-oxazol-3-yl]indolizine-5-carboxylic acid;(3,4,5-trichlorophenyl)boronic acid;1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;hydrochloride is sourced from PubChem (CID 172918967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).