N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H25FN6O3 — CID 143006876

About N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 143006876) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 143006876
• Molecular Formula: C24H25FN6O3
• Molecular Weight: 464.50 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4cnc(C)c4/N=C\N)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C24H25FN6O3/c1-15-23(28-13-26)30(14-29-15)11-17-3-5-18(6-4-17)21-8-7-19(9-22(21)25)31-12-20(34-24(31)33)10-27-16(2)32/h3-9,13-14,20H,10-12H2,1-2H3,(H2,26,28)(H,27,32)/t20-/m0/s1
• InChIKey: XAPBPWRTQULRHO-FQEVSTJZSA-N
• XLogP: 3.13
• TPSA: 114.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.50
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 143006876) is N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4cnc(C)c4/N=C\N)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is XAPBPWRTQULRHO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-15-23(28-13-26)30(14-29-15)11-17-3-5-18(6-4-17)21-8-7-19(9-22(21)25)31-12-20(34-24(31)33)10-27-16(2)32/h3-9,13-14,20H,10-12H2,1-2H3,(H2,26,28)(H,27,32)/t20-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 464.50 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[[5-[(Z)-aminomethylideneamino]-4-methylimidazol-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 143006876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).