2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide

C11H13N3O3 — CID 79523655

IUPAC2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide
SMILESNc1ccc(CC(=O)N[C@@H]2CONC2=O)cc1
InChIInChI=1S/C11H13N3O3/c12-8-3-1-7(2-4-8)5-10(15)13-9-6-17-14-11(9)16/h1-4,9H,5-6,12H2,(H,13,15)(H,14,16)/t9-/m1/s1
InChIKeyKDXBYOMLEYPADF-SECBINFHSA-N
MW235.24 g/mol
LogP-0.64
Rot. Bonds3

About 2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide

2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide (PubChem CID 79523655) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide
PubChem CID79523655
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide
SMILESNc1ccc(CC(=O)N[C@@H]2CONC2=O)cc1
InChIInChI=1S/C11H13N3O3/c12-8-3-1-7(2-4-8)5-10(15)13-9-6-17-14-11(9)16/h1-4,9H,5-6,12H2,(H,13,15)(H,14,16)/t9-/m1/s1
InChIKeyKDXBYOMLEYPADF-SECBINFHSA-N
XLogP-0.64
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide (CID 79523655) is 2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide is Nc1ccc(CC(=O)N[C@@H]2CONC2=O)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide?
The InChIKey is KDXBYOMLEYPADF-SECBINFHSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-8-3-1-7(2-4-8)5-10(15)13-9-6-17-14-11(9)16/h1-4,9H,5-6,12H2,(H,13,15)(H,14,16)/t9-/m1/s1.
What are the key properties of 2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide?
2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide has a molecular weight of 235.24 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide is sourced from PubChem (CID 79523655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).