N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide

C23H24BrFN4O5 — CID 10119455

About N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide

N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide (PubChem CID 10119455) has the molecular formula C23H24BrFN4O5 and a molecular weight of 535.37 g/mol. Its IUPAC name is N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide
• PubChem CID: 10119455
• Molecular Formula: C23H24BrFN4O5
• Molecular Weight: 535.37 g/mol
• Exact Mass: 534.09
• IUPAC Name: N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CC4C(C3)C4N(C)C(=O)c3ccc(Br)o3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C23H24BrFN4O5/c1-12(30)26-8-14-9-29(23(32)33-14)13-3-4-18(17(25)7-13)28-10-15-16(11-28)21(15)27(2)22(31)19-5-6-20(24)34-19/h3-7,14-16,21H,8-11H2,1-2H3,(H,26,30)/t14-,15?,16?,21?/m0/s1
• InChIKey: CSSLXMQHYMVSNW-IQMGYBOWSA-N
• XLogP: 2.85
• TPSA: 95.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.37
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide?

The IUPAC name of N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide (CID 10119455) is N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide.

What is the SMILES notation for N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide?

The canonical SMILES for N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(N3CC4C(C3)C4N(C)C(=O)c3ccc(Br)o3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide?

The InChIKey is CSSLXMQHYMVSNW-IQMGYBOWSA-N. The full InChI is InChI=1S/C23H24BrFN4O5/c1-12(30)26-8-14-9-29(23(32)33-14)13-3-4-18(17(25)7-13)28-10-15-16(11-28)21(15)27(2)22(31)19-5-6-20(24)34-19/h3-7,14-16,21H,8-11H2,1-2H3,(H,26,30)/t14-,15?,16?,21?/m0/s1.

What are the key properties of N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide?

N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide has a molecular weight of 535.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-5-bromo-N-methylfuran-2-carboxamide is sourced from PubChem (CID 10119455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).