acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C131H150B3Br3F3IN26O20 — CID 157264403

About acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157264403) has the molecular formula C131H150B3Br3F3IN26O20 and a molecular weight of 2864.85 g/mol. Its IUPAC name is acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157264403
• Molecular Formula: C131H150B3Br3F3IN26O20
• Molecular Weight: 2864.85 g/mol
• Exact Mass: 2860.83
• IUPAC Name: acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC#N.CC(=O)N1CCCC1.CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cc2)[nH]1.CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cc2)[nH]1.CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1.CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.O=C(CBr)c1ccc(Br)cc1.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(I)c(F)c1.O=C=O
• InChI: InChI=1S/2C27H26FN7O3.C21H28BN3O3.C15H16BrN3O.C12H24B2O4.C12H10FIN4O2.C8H6Br2O.C6H11NO.C2H3N.CO2/c2*1-17(36)34-11-2-3-25(34)26-29-14-24(31-26)19-6-4-18(5-7-19)22-9-8-20(13-23(22)28)35-16-21(38-27(35)37)15-33-12-10-30-32-33;1-14(26)25-12-6-7-18(25)19-23-13-17(24-19)15-8-10-16(11-9-15)22-27-20(2,3)21(4,5)28-22;1-10(20)19-8-2-3-14(19)15-17-9-13(18-15)11-4-6-12(16)7-5-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-10-5-8(1-2-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17;9-5-8(11)6-1-3-7(10)4-2-6;1-6(8)7-4-2-3-5-7;1-2-3;2-1-3/h2*4-10,12-14,21,25H,2-3,11,15-16H2,1H3,(H,29,31);8-11,13,18H,6-7,12H2,1-5H3,(H,23,24);4-7,9,14H,2-3,8H2,1H3,(H,17,18);1-8H3;1-5,9H,6-7H2;1-4H,5H2;2-5H2,1H3;1H3;/t2*21-,25-;18-;14-;;9-;;;;/m0000.0..../s1
• InChIKey: AXVHCMIAVHKSFS-NDHOYZENSA-N
• XLogP: 22.85
• TPSA: 527.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2864.85
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157264403) is acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC#N.CC(=O)N1CCCC1.CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cc2)[nH]1.CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cc2)[nH]1.CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1.CC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.O=C(CBr)c1ccc(Br)cc1.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(I)c(F)c1.O=C=O.

What is the InChIKey of acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is AXVHCMIAVHKSFS-NDHOYZENSA-N. The full InChI is InChI=1S/2C27H26FN7O3.C21H28BN3O3.C15H16BrN3O.C12H24B2O4.C12H10FIN4O2.C8H6Br2O.C6H11NO.C2H3N.CO2/c2*1-17(36)34-11-2-3-25(34)26-29-14-24(31-26)19-6-4-18(5-7-19)22-9-8-20(13-23(22)28)35-16-21(38-27(35)37)15-33-12-10-30-32-33;1-14(26)25-12-6-7-18(25)19-23-13-17(24-19)15-8-10-16(11-9-15)22-27-20(2,3)21(4,5)28-22;1-10(20)19-8-2-3-14(19)15-17-9-13(18-15)11-4-6-12(16)7-5-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-10-5-8(1-2-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17;9-5-8(11)6-1-3-7(10)4-2-6;1-6(8)7-4-2-3-5-7;1-2-3;2-1-3/h2*4-10,12-14,21,25H,2-3,11,15-16H2,1H3,(H,29,31);8-11,13,18H,6-7,12H2,1-5H3,(H,23,24);4-7,9,14H,2-3,8H2,1H3,(H,17,18);1-8H3;1-5,9H,6-7H2;1-4H,5H2;2-5H2,1H3;1H3;/t2*21-,25-;18-;14-;;9-;;;;/m0000.0..../s1.

What are the key properties of acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2864.85 g/mol, XLogP of 22.85, 23 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;bis((5R)-3-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one);2-bromo-1-(4-bromophenyl)ethanone;1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;carbon dioxide;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;1-pyrrolidin-1-ylethanone;1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157264403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).