N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide

C29H25N3O3 — CID 59627279

IUPACN-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2C(=O)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C29H25N3O3/c30-25-16-15-24(21-7-3-1-4-8-21)17-26(25)31-28(33)23-13-11-20(12-14-23)18-32-27(19-35-29(32)34)22-9-5-2-6-10-22/h1-17,27H,18-19,30H2,(H,31,33)/t27-/m0/s1
InChIKeyUOTUFXVARIAOEU-MHZLTWQESA-N
MW463.54 g/mol
LogP5.88
Rot. Bonds6

About N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide

N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide (PubChem CID 59627279) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide
PubChem CID59627279
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2C(=O)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C29H25N3O3/c30-25-16-15-24(21-7-3-1-4-8-21)17-26(25)31-28(33)23-13-11-20(12-14-23)18-32-27(19-35-29(32)34)22-9-5-2-6-10-22/h1-17,27H,18-19,30H2,(H,31,33)/t27-/m0/s1
InChIKeyUOTUFXVARIAOEU-MHZLTWQESA-N
XLogP5.88
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide (CID 59627279) is N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2C(=O)OC[C@H]2c2ccccc2)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide?
The InChIKey is UOTUFXVARIAOEU-MHZLTWQESA-N. The full InChI is InChI=1S/C29H25N3O3/c30-25-16-15-24(21-7-3-1-4-8-21)17-26(25)31-28(33)23-13-11-20(12-14-23)18-32-27(19-35-29(32)34)22-9-5-2-6-10-22/h1-17,27H,18-19,30H2,(H,31,33)/t27-/m0/s1.
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide has a molecular weight of 463.54 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 59627279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).