N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H25FN6O4 — CID 10298753

About N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10298753) has the molecular formula C23H25FN6O4 and a molecular weight of 468.49 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10298753
• Molecular Formula: C23H25FN6O4
• Molecular Weight: 468.49 g/mol
• Exact Mass: 468.19
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: C=CC(=O)N1CCN(c2ncc(-c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cn2)CC1
• InChI: InChI=1S/C23H25FN6O4/c1-3-21(32)28-6-8-29(9-7-28)22-26-11-16(12-27-22)19-5-4-17(10-20(19)24)30-14-18(34-23(30)33)13-25-15(2)31/h3-5,10-12,18H,1,6-9,13-14H2,2H3,(H,25,31)/t18-/m0/s1
• InChIKey: OSSUIHHIIXLJHY-SFHVURJKSA-N
• XLogP: 1.58
• TPSA: 107.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.49
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10298753) is N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is C=CC(=O)N1CCN(c2ncc(-c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cn2)CC1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is OSSUIHHIIXLJHY-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25FN6O4/c1-3-21(32)28-6-8-29(9-7-28)22-26-11-16(12-27-22)19-5-4-17(10-20(19)24)30-14-18(34-23(30)33)13-25-15(2)31/h3-5,10-12,18H,1,6-9,13-14H2,2H3,(H,25,31)/t18-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 468.49 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[2-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10298753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).