N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H20F2N4O4 — CID 57194489

About N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57194489) has the molecular formula C19H20F2N4O4 and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 57194489
• Molecular Formula: C19H20F2N4O4
• Molecular Weight: 406.39 g/mol
• Exact Mass: 406.15
• IUPAC Name: N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2cc(F)c(C34C=CCN3C(=O)N(C)C4)c(F)c2)C(=O)O1
• InChI: InChI=1S/C19H20F2N4O4/c1-11(26)22-8-13-9-24(18(28)29-13)12-6-14(20)16(15(21)7-12)19-4-3-5-25(19)17(27)23(2)10-19/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,22,26)/t13-,19?/m0/s1
• InChIKey: JRCQCNZDOMYSDD-YTJLLHSVSA-N
• XLogP: 1.56
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.39
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57194489) is N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(C34C=CCN3C(=O)N(C)C4)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is JRCQCNZDOMYSDD-YTJLLHSVSA-N. The full InChI is InChI=1S/C19H20F2N4O4/c1-11(26)22-8-13-9-24(18(28)29-13)12-6-14(20)16(15(21)7-12)19-4-3-5-25(19)17(27)23(2)10-19/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,22,26)/t13-,19?/m0/s1.

What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 406.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3,5-difluoro-4-(2-methyl-3-oxo-1,5-dihydropyrrolo[1,2-c]imidazol-7a-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57194489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).