1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide

C21H20FN7O5 — CID 135682114

About 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide

1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide (PubChem CID 135682114) has the molecular formula C21H20FN7O5 and a molecular weight of 469.43 g/mol. Its IUPAC name is 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide
• PubChem CID: 135682114
• Molecular Formula: C21H20FN7O5
• Molecular Weight: 469.43 g/mol
• Exact Mass: 469.15
• IUPAC Name: 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide
• SMILES: CC(=O)NCC1CN(c2ccc(-n3cnc(C(=O)Nc4nc(C)cc(=O)[nH]4)c3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C21H20FN7O5/c1-11-5-18(31)26-20(25-11)27-19(32)16-9-28(10-24-16)17-4-3-13(6-15(17)22)29-8-14(34-21(29)33)7-23-12(2)30/h3-6,9-10,14H,7-8H2,1-2H3,(H,23,30)(H2,25,26,27,31,32)
• InChIKey: ONTAYGGJRCSMLT-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 151.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.43
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide?

The IUPAC name of 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide (CID 135682114) is 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide.

What is the SMILES notation for 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide?

The canonical SMILES for 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide is CC(=O)NCC1CN(c2ccc(-n3cnc(C(=O)Nc4nc(C)cc(=O)[nH]4)c3)c(F)c2)C(=O)O1.

What is the InChIKey of 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide?

The InChIKey is ONTAYGGJRCSMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O5/c1-11-5-18(31)26-20(25-11)27-19(32)16-9-28(10-24-16)17-4-3-13(6-15(17)22)29-8-14(34-21(29)33)7-23-12(2)30/h3-6,9-10,14H,7-8H2,1-2H3,(H,23,30)(H2,25,26,27,31,32).

What are the key properties of 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide?

1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide has a molecular weight of 469.43 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 135682114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).