actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

C47H41Ac3ClF3N12O9S2-3 — CID 161239267

About actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (PubChem CID 161239267) has the molecular formula C47H41Ac3ClF3N12O9S2-3 and a molecular weight of 1755.50 g/mol. Its IUPAC name is actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.

Molecular Properties

• Compound Name: actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
• PubChem CID: 161239267
• Molecular Formula: C47H41Ac3ClF3N12O9S2-3
• Molecular Weight: 1755.50 g/mol
• Exact Mass: 1754.31
• IUPAC Name: actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
• SMILES: CSc1ccc(NC(=O)c2ccc(N3C[C@H](C[NH-])OC3=O)cc2F)cn1.[Ac].[Ac].[Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)nc3)c(F)c2)C(=O)O1.[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3nccs3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C17H16FN4O3S.C16H13ClFN4O3.C14H12FN4O3S.3Ac/c1-26-15-5-2-10(8-20-15)21-16(23)13-4-3-11(6-14(13)18)22-9-12(7-19)25-17(22)24;17-14-4-1-9(7-20-14)21-15(23)12-3-2-10(5-13(12)18)22-8-11(6-19)25-16(22)24;15-11-5-8(19-7-9(6-16)22-14(19)21)1-2-10(11)12(20)18-13-17-3-4-23-13;;;/h2-6,8,12,19H,7,9H2,1H3,(H,21,23);1-5,7,11,19H,6,8H2,(H,21,23);1-5,9,16H,6-7H2,(H,17,18,20);;;/q3*-1;;;/t12-;11-;9-;;;/m000.../s1
• InChIKey: FUQTXUJLBARDQY-QPAPGTKESA-N
• XLogP: 9.99
• TPSA: 285.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1755.50
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?

The IUPAC name of actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (CID 161239267) is actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.

What is the SMILES notation for actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?

The canonical SMILES for actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is CSc1ccc(NC(=O)c2ccc(N3C[C@H](C[NH-])OC3=O)cc2F)cn1.[Ac].[Ac].[Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)nc3)c(F)c2)C(=O)O1.[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3nccs3)c(F)c2)C(=O)O1.

What is the InChIKey of actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?

The InChIKey is FUQTXUJLBARDQY-QPAPGTKESA-N. The full InChI is InChI=1S/C17H16FN4O3S.C16H13ClFN4O3.C14H12FN4O3S.3Ac/c1-26-15-5-2-10(8-20-15)21-16(23)13-4-3-11(6-14(13)18)22-9-12(7-19)25-17(22)24;17-14-4-1-9(7-20-14)21-15(23)12-3-2-10(5-13(12)18)22-8-11(6-19)25-16(22)24;15-11-5-8(19-7-9(6-16)22-14(19)21)1-2-10(11)12(20)18-13-17-3-4-23-13;;;/h2-6,8,12,19H,7,9H2,1H3,(H,21,23);1-5,7,11,19H,6,8H2,(H,21,23);1-5,9,16H,6-7H2,(H,17,18,20);;;/q3*-1;;;/t12-;11-;9-;;;/m000.../s1.

What are the key properties of actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?

actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide has a molecular weight of 1755.50 g/mol, XLogP of 9.99, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is sourced from PubChem (CID 161239267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).