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

C12H15N3O3 — CID 10037682

IUPACN-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N)cc2)C(=O)O1
InChIInChI=1S/C12H15N3O3/c1-8(16)14-6-11-7-15(12(17)18-11)10-4-2-9(13)3-5-10/h2-5,11H,6-7,13H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyRNDLILOZVAGLNU-NSHDSACASA-N
MW249.27 g/mol
LogP0.73
Rot. Bonds3

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

N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10037682) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10037682
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N)cc2)C(=O)O1
InChIInChI=1S/C12H15N3O3/c1-8(16)14-6-11-7-15(12(17)18-11)10-4-2-9(13)3-5-10/h2-5,11H,6-7,13H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyRNDLILOZVAGLNU-NSHDSACASA-N
XLogP0.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
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 N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10037682) is N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is RNDLILOZVAGLNU-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(16)14-6-11-7-15(12(17)18-11)10-4-2-9(13)3-5-10/h2-5,11H,6-7,13H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10037682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).