[5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate

C24H29FN6O7 — CID 15541045

About [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate

[5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate (PubChem CID 15541045) has the molecular formula C24H29FN6O7 and a molecular weight of 532.53 g/mol. Its IUPAC name is [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate.

Molecular Properties

• Compound Name: [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate
• PubChem CID: 15541045
• Molecular Formula: C24H29FN6O7
• Molecular Weight: 532.53 g/mol
• Exact Mass: 532.21
• IUPAC Name: [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(COC(=O)N(C)C)no4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C24H29FN6O7/c1-15(32)26-12-18-13-31(24(35)37-18)17-4-5-20(19(25)11-17)29-6-8-30(9-7-29)22(33)21-10-16(27-38-21)14-36-23(34)28(2)3/h4-5,10-11,18H,6-9,12-14H2,1-3H3,(H,26,32)/t18-/m0/s1
• InChIKey: YYLAIDAMTUZKMJ-SFHVURJKSA-N
• XLogP: 1.44
• TPSA: 137.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.53
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate?

The IUPAC name of [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate (CID 15541045) is [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate.

What is the SMILES notation for [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate?

The canonical SMILES for [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(COC(=O)N(C)C)no4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate?

The InChIKey is YYLAIDAMTUZKMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29FN6O7/c1-15(32)26-12-18-13-31(24(35)37-18)17-4-5-20(19(25)11-17)29-6-8-30(9-7-29)22(33)21-10-16(27-38-21)14-36-23(34)28(2)3/h4-5,10-11,18H,6-9,12-14H2,1-3H3,(H,26,32)/t18-/m0/s1.

What are the key properties of [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate?

[5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate has a molecular weight of 532.53 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazol-3-yl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 15541045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).