N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide

C23H20N4O6 — CID 59641798

IUPACN-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(N2CC(COc3cccc([N+](=O)[O-])c3)OC2=O)cc1
InChIInChI=1S/C23H20N4O6/c24-20-6-1-2-7-21(20)25-22(28)15-8-10-16(11-9-15)26-13-19(33-23(26)29)14-32-18-5-3-4-17(12-18)27(30)31/h1-12,19H,13-14,24H2,(H,25,28)
InChIKeyCUFATBKMECFTDL-UHFFFAOYSA-N
MW448.44 g/mol
LogP3.83
Rot. Bonds7

About N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide

N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide (PubChem CID 59641798) has the molecular formula C23H20N4O6 and a molecular weight of 448.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide
PubChem CID59641798
Molecular FormulaC23H20N4O6
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC NameN-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(N2CC(COc3cccc([N+](=O)[O-])c3)OC2=O)cc1
InChIInChI=1S/C23H20N4O6/c24-20-6-1-2-7-21(20)25-22(28)15-8-10-16(11-9-15)26-13-19(33-23(26)29)14-32-18-5-3-4-17(12-18)27(30)31/h1-12,19H,13-14,24H2,(H,25,28)
InChIKeyCUFATBKMECFTDL-UHFFFAOYSA-N
XLogP3.83
TPSA137.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide (CID 59641798) is N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide is Nc1ccccc1NC(=O)c1ccc(N2CC(COc3cccc([N+](=O)[O-])c3)OC2=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide?
The InChIKey is CUFATBKMECFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6/c24-20-6-1-2-7-21(20)25-22(28)15-8-10-16(11-9-15)26-13-19(33-23(26)29)14-32-18-5-3-4-17(12-18)27(30)31/h1-12,19H,13-14,24H2,(H,25,28).
What are the key properties of N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide?
N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide has a molecular weight of 448.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[5-[(3-nitrophenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide is sourced from PubChem (CID 59641798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).