(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

C10H12N2O2 — CID 7099156

IUPAC(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(C[C@H]2COC(=O)N2)cc1
InChIInChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m0/s1
InChIKeyWNAVSKJKDPLWBD-VIFPVBQESA-N
MW192.22 g/mol
LogP0.92
Rot. Bonds2

About (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 7099156) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID7099156
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(C[C@H]2COC(=O)N2)cc1
InChIInChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m0/s1
InChIKeyWNAVSKJKDPLWBD-VIFPVBQESA-N
XLogP0.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one (CID 7099156) is (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one is Nc1ccc(C[C@H]2COC(=O)N2)cc1.
What is the InChIKey of (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is WNAVSKJKDPLWBD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one?
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 7099156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).