4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide

C53H50ClF3N12O12S2 — CID 160561005

About 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide

4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 160561005) has the molecular formula C53H50ClF3N12O12S2 and a molecular weight of 1203.64 g/mol. Its IUPAC name is 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
• PubChem CID: 160561005
• Molecular Formula: C53H50ClF3N12O12S2
• Molecular Weight: 1203.64 g/mol
• Exact Mass: 1202.28
• IUPAC Name: 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)nc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3nccs3)c(F)c2)C(=O)O1.CSc1ccc(NC(=O)c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cn1
• InChI: InChI=1S/C19H19FN4O4S.C18H16ClFN4O4.C16H15FN4O4S/c1-11(25)21-9-14-10-24(19(27)28-14)13-4-5-15(16(20)7-13)18(26)23-12-3-6-17(29-2)22-8-12;1-10(25)21-8-13-9-24(18(27)28-13)12-3-4-14(15(20)6-12)17(26)23-11-2-5-16(19)22-7-11;1-9(22)19-7-11-8-21(16(24)25-11)10-2-3-12(13(17)6-10)14(23)20-15-18-4-5-26-15/h3-8,14H,9-10H2,1-2H3,(H,21,25)(H,23,26);2-7,13H,8-9H2,1H3,(H,21,25)(H,23,26);2-6,11H,7-8H2,1H3,(H,19,22)(H,18,20,23)/t14-;13-;11-/m000/s1
• InChIKey: QZHPVNJMGSGLEJ-IHAAHCMBSA-N
• XLogP: 7.24
• TPSA: 301.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1203.64
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

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 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?

The IUPAC name of 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide (CID 160561005) is 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide is CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)nc3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(C(=O)Nc3nccs3)c(F)c2)C(=O)O1.CSc1ccc(NC(=O)c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cn1.

What is the InChIKey of 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?

The InChIKey is QZHPVNJMGSGLEJ-IHAAHCMBSA-N. The full InChI is InChI=1S/C19H19FN4O4S.C18H16ClFN4O4.C16H15FN4O4S/c1-11(25)21-9-14-10-24(19(27)28-14)13-4-5-15(16(20)7-13)18(26)23-12-3-6-17(29-2)22-8-12;1-10(25)21-8-13-9-24(18(27)28-13)12-3-4-14(15(20)6-12)17(26)23-11-2-5-16(19)22-7-11;1-9(22)19-7-11-8-21(16(24)25-11)10-2-3-12(13(17)6-10)14(23)20-15-18-4-5-26-15/h3-8,14H,9-10H2,1-2H3,(H,21,25)(H,23,26);2-7,13H,8-9H2,1H3,(H,21,25)(H,23,26);2-6,11H,7-8H2,1H3,(H,19,22)(H,18,20,23)/t14-;13-;11-/m000/s1.

What are the key properties of 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?

4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 1203.64 g/mol, XLogP of 7.24, 16 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methylsulfanyl-3-pyridinyl)benzamide;4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 160561005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).