(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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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

C60H64BF2IN14O8 — CID 158409307

About (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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

(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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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 (PubChem CID 158409307) has the molecular formula C60H64BF2IN14O8 and a molecular weight of 1284.97 g/mol. Its IUPAC name is (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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.

Molecular Properties

• Compound Name: (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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
• PubChem CID: 158409307
• Molecular Formula: C60H64BF2IN14O8
• Molecular Weight: 1284.97 g/mol
• Exact Mass: 1284.41
• IUPAC Name: (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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
• SMILES: 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.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(I)c(F)c1
• InChI: InChI=1S/C27H26FN7O3.C21H28BN3O3.C12H10FIN4O2/c1-17(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;13-10-5-8(1-2-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17/h4-10,12-14,21,25H,2-3,11,15-16H2,1H3,(H,29,31);8-11,13,18H,6-7,12H2,1-5H3,(H,23,24);1-5,9H,6-7H2/t21-,25-;18-;9-/m000/s1
• InChIKey: GZCFHIZCEWJHTF-OXKMECBSSA-N
• XLogP: 9.29
• TPSA: 236.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1284.97
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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?

The IUPAC name of (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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 (CID 158409307) is (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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.

What is the SMILES notation for (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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?

The canonical SMILES for (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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 is 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.O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(I)c(F)c1.

What is the InChIKey of (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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?

The InChIKey is GZCFHIZCEWJHTF-OXKMECBSSA-N. The full InChI is InChI=1S/C27H26FN7O3.C21H28BN3O3.C12H10FIN4O2/c1-17(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;13-10-5-8(1-2-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17/h4-10,12-14,21,25H,2-3,11,15-16H2,1H3,(H,29,31);8-11,13,18H,6-7,12H2,1-5H3,(H,23,24);1-5,9H,6-7H2/t21-,25-;18-;9-/m000/s1.

What are the key properties of (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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?

(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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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 has a molecular weight of 1284.97 g/mol, XLogP of 9.29, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (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;(5R)-3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;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 is sourced from PubChem (CID 158409307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).